ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrin beta-2

Intermolecular
Cysteine 33 and cysteine 447
Intramolecular
Cysteine 670 and cysteine 695
Cysteine 590 and cysteine 601
Cysteine 191 and cysteine 198 L
Cysteine 549 and cysteine 562
Cysteine 622 and cysteine 662
Cysteine 25 and cysteine 43
Cysteine 603 and cysteine 612
Cysteine 564 and cysteine 573
Cysteine 246 and cysteine 286 L
More...
Cysteine 420 and cysteine 445
Cysteine 628 and cysteine 647
Cysteine 449 and cysteine 467
Cysteine 615 and cysteine 618
Cysteine 506 and cysteine 517
Cysteine 541 and cysteine 557
Cysteine 46 and cysteine 73
Cysteine 483 and cysteine 514
Cysteine 643 and cysteine 647
Cysteine 36 and cysteine 62
Cysteine 519 and cysteine 534
Cysteine 536 and cysteine 559
Cysteine 497 and cysteine 512
Cysteine 447 and cysteine 449
Cysteine 582 and cysteine 596
Cysteine 470 and cysteine 481
Cysteine 447 and cysteine 467
Cysteine 575 and cysteine 598 L
Cysteine 497 and cysteine 517
Cysteine 472 and cysteine 481
Cysteine 459 and cysteine 481
Cysteine 582 and cysteine 601
Cysteine 631 and cysteine 643
Cysteine 497 and cysteine 506
Cysteine 601 and cysteine 612
Cysteine 25 and cysteine 62
Cysteine 33 and cysteine 449
Cysteine 549 and cysteine 557
Cysteine 631 and cysteine 647
Cysteine 541 and cysteine 549
A redox-regulated disulphide may form between two units of Integrin beta-2 at cysteines 33 and 447 (11 and 425 respectively in this structure).

Details

Redox score ?
86
PDB code
2p28
Structure name
structure of the phe2 and phe3 fragments of the integrin beta2 subunit
Structure deposition date
2007-03-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin beta-2
Peptide B name
Integrin beta-2
Peptide A accession
P05107
Peptide B accession
P05107
Peptide A residue number
33
Peptide B residue number
447

Ligandability

Cysteine 33 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 447 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 670 and 695 (648 and 673 respectively in this structure).

Details

Redox score ?
88
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
34
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
670
Residue number B
695
Peptide name
Integrin beta-2

Ligandability

Cysteine 670 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 695 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 590 and 601 (568 and 579 respectively in this structure).

Details

Redox score ?
87
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
590
Residue number B
601
Peptide name
Integrin beta-2

Ligandability

Cysteine 590 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 601 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 191 and 198 (169 and 176 respectively in this structure).

Details

Redox score ?
87
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
191
Residue number B
198
Peptide name
Integrin beta-2

Ligandability

Cysteine 191 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 198 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 549 and 562 (527 and 540 respectively in this structure).

Details

Redox score ?
87
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
549
Residue number B
562
Peptide name
Integrin beta-2

Ligandability

Cysteine 549 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 562 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 622 and 662 (600 and 640 respectively in this structure).

Details

Redox score ?
87
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
622
Residue number B
662
Peptide name
Integrin beta-2

Ligandability

Cysteine 622 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 662 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 25 and 43 (3 and 21 respectively in this structure).

Details

Redox score ?
86
PDB code
5e6u
Structure name
structures of leukocyte integrin alb2: the ai domain, the headpiece, and the pocket for the internal ligand
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
25
Residue number B
43
Peptide name
Integrin beta-2

Ligandability

Cysteine 25 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 43 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 603 and 612 (581 and 590 respectively in this structure).

Details

Redox score ?
86
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
603
Residue number B
612
Peptide name
Integrin beta-2

Ligandability

Cysteine 603 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 612 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 564 and 573 (542 and 551 respectively in this structure).

Details

Redox score ?
85
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
564
Residue number B
573
Peptide name
Integrin beta-2

Ligandability

Cysteine 564 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 573 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 246 and 286 (224 and 264 respectively in this structure).

Details

Redox score ?
85
PDB code
4nen
Structure name
an internal ligand-bound, metastable state of a leukocyte integrin, axb2
Structure deposition date
2013-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
246
Residue number B
286
Peptide name
Integrin beta-2

Ligandability

Cysteine 246 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 286 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 420 and 445 (398 and 423 respectively in this structure).

Details

Redox score ?
85
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
420
Residue number B
445
Peptide name
Integrin beta-2

Ligandability

Cysteine 420 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 445 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 628 and 647 (606 and 625 respectively in this structure).

Details

Redox score ?
85
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
628
Residue number B
647
Peptide name
Integrin beta-2

Ligandability

Cysteine 628 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 647 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 449 and 467 (427 and 445 respectively in this structure).

Details

Redox score ?
84
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
449
Residue number B
467
Peptide name
Integrin beta-2

Ligandability

Cysteine 449 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 467 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 615 and 618 (593 and 596 respectively in this structure).

Details

Redox score ?
84
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
615
Residue number B
618
Peptide name
Integrin beta-2

Ligandability

Cysteine 615 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 618 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 506 and 517 (484 and 495 respectively in this structure).

Details

Redox score ?
84
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
506
Residue number B
517
Peptide name
Integrin beta-2

Ligandability

Cysteine 506 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 517 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 541 and 557 (519 and 535 respectively in this structure).

Details

Redox score ?
83
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
541
Residue number B
557
Peptide name
Integrin beta-2

Ligandability

Cysteine 541 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 557 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 46 and 73 (24 and 51 respectively in this structure).

Details

Redox score ?
83
PDB code
5e6x
Structure name
re-refinement of the crystal structure of the plexin-semaphorin- integrin domain/hybrid domain/i-egf1 segment from the human integrin b2 subunit
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
46
Residue number B
73
Peptide name
Integrin beta-2

Ligandability

Cysteine 46 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 73 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 483 and 514 (461 and 492 respectively in this structure).

Details

Redox score ?
83
PDB code
4nen
Structure name
an internal ligand-bound, metastable state of a leukocyte integrin, axb2
Structure deposition date
2013-10-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
483
Residue number B
514
Peptide name
Integrin beta-2

Ligandability

Cysteine 483 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 514 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 643 and 647 (621 and 625 respectively in this structure).

Details

Redox score ?
83
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
643
Residue number B
647
Peptide name
Integrin beta-2

Ligandability

Cysteine 643 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 647 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 36 and 62 (14 and 40 respectively in this structure).

Details

Redox score ?
82
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
36
Residue number B
62
Peptide name
Integrin beta-2

Ligandability

Cysteine 36 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 62 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 519 and 534 (497 and 512 respectively in this structure).

Details

Redox score ?
82
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
519
Residue number B
534
Peptide name
Integrin beta-2

Ligandability

Cysteine 519 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 534 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 536 and 559 (514 and 537 respectively in this structure).

Details

Redox score ?
82
PDB code
5e6w
Structure name
re-refinement of the crystal structure of the plexin-semaphorin- integrin domain/hybrid domain/i-egf1 segment from the human integrin b2 subunit
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
536
Residue number B
559
Peptide name
Integrin beta-2

Ligandability

Cysteine 536 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 559 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 497 and 512 (475 and 490 respectively in this structure).

Details

Redox score ?
82
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
497
Residue number B
512
Peptide name
Integrin beta-2

Ligandability

Cysteine 497 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 512 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 447 and 449 (425 and 427 respectively in this structure).

Details

Redox score ?
81
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
447
Residue number B
449
Peptide name
Integrin beta-2

Ligandability

Cysteine 447 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 449 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 582 and 596 (560 and 574 respectively in this structure).

Details

Redox score ?
79
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
12
Peptide accession
P05107
Residue number A
582
Residue number B
596
Peptide name
Integrin beta-2

Ligandability

Cysteine 582 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 596 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 470 and 481 (448 and 459 respectively in this structure).

Details

Redox score ?
78
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
470
Residue number B
481
Peptide name
Integrin beta-2

Ligandability

Cysteine 470 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 481 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 447 and 467 (425 and 445 respectively in this structure).

Details

Redox score ?
78
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
447
Residue number B
467
Peptide name
Integrin beta-2

Ligandability

Cysteine 447 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 467 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 575 and 598 (553 and 576 respectively in this structure).

Details

Redox score ?
77
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
18
Peptide accession
P05107
Residue number A
575
Residue number B
598
Peptide name
Integrin beta-2

Ligandability

Cysteine 575 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 598 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 497 and 517 (475 and 495 respectively in this structure).

Details

Redox score ?
77
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
497
Residue number B
517
Peptide name
Integrin beta-2

Ligandability

Cysteine 497 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 517 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 472 and 481 (450 and 459 respectively in this structure).

Details

Redox score ?
76
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
56
Minimum pKa ?
11
% buried
nan
Peptide accession
P05107
Residue number A
472
Residue number B
481
Peptide name
Integrin beta-2

Ligandability

Cysteine 472 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 481 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 459 and 481 (437 and 459 respectively in this structure).

Details

Redox score ?
76
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
459
Residue number B
481
Peptide name
Integrin beta-2

Ligandability

Cysteine 459 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 481 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 582 and 601 (560 and 579 respectively in this structure).

Details

Redox score ?
76
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
582
Residue number B
601
Peptide name
Integrin beta-2

Ligandability

Cysteine 582 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 601 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 631 and 643 (609 and 621 respectively in this structure).

Details

Redox score ?
75
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
10
Peptide accession
P05107
Residue number A
631
Residue number B
643
Peptide name
Integrin beta-2

Ligandability

Cysteine 631 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 643 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 497 and 506 (475 and 484 respectively in this structure).

Details

Redox score ?
75
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
497
Residue number B
506
Peptide name
Integrin beta-2

Ligandability

Cysteine 497 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 506 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 601 and 612 (579 and 590 respectively in this structure).

Details

Redox score ?
74
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
601
Residue number B
612
Peptide name
Integrin beta-2

Ligandability

Cysteine 601 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 612 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 25 and 62 (3 and 40 respectively in this structure).

Details

Redox score ?
74
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
25
Residue number B
62
Peptide name
Integrin beta-2

Ligandability

Cysteine 25 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 62 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 33 and 449 (11 and 427 respectively in this structure).

Details

Redox score ?
74
PDB code
5e6x
Structure name
re-refinement of the crystal structure of the plexin-semaphorin- integrin domain/hybrid domain/i-egf1 segment from the human integrin b2 subunit
Structure deposition date
2015-10-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
33
Residue number B
449
Peptide name
Integrin beta-2

Ligandability

Cysteine 33 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 449 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 549 and 557 (527 and 535 respectively in this structure).

Details

Redox score ?
73
PDB code
3k6s
Structure name
structure of integrin alphaxbeta2 ectodomain
Structure deposition date
2009-10-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
549
Residue number B
557
Peptide name
Integrin beta-2

Ligandability

Cysteine 549 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 557 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 631 and 647 (609 and 625 respectively in this structure).

Details

Redox score ?
73
PDB code
5es4
Structure name
re-refinement of integrin alphaxbeta2 ectodomain in the closed/bent conformation
Structure deposition date
2015-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
631
Residue number B
647
Peptide name
Integrin beta-2

Ligandability

Cysteine 631 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 647 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrin beta-2 between cysteines 541 and 549 (519 and 527 respectively in this structure).

Details

Redox score ?
72
PDB code
3k71
Structure name
structure of integrin alphax beta2 ectodomain
Structure deposition date
2009-10-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05107
Residue number A
541
Residue number B
549
Peptide name
Integrin beta-2

Ligandability

Cysteine 541 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 549 of Integrin beta-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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