ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrin alpha-X

Intermolecular
Cysteine 712 and cysteine 712
Cysteine 712 and cysteine 655
Cysteine 655 and cysteine 655
Intramolecular
Cysteine 116 and cysteine 145
Cysteine 771 and cysteine 777
Cysteine 848 and cysteine 863
Cysteine 639 and cysteine 722
Cysteine 1022 and cysteine 1027
Cysteine 495 and cysteine 506
Cysteine 998 and cysteine 1032
More...
Cysteine 69 and cysteine 76
Cysteine 108 and cysteine 126
A redox-regulated disulphide may form between two units of Integrin alpha-X at cysteines 712 and 712 (693 and 693 respectively in this structure).

Details

Redox score ?
72
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 ?
71
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin alpha-X
Peptide B name
Integrin alpha-X
Peptide A accession
P20702
Peptide B accession
P20702
Peptide A residue number
712
Peptide B residue number
712

Ligandability

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 between two units of Integrin alpha-X at cysteines 712 and 655 (693 and 636 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
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)
6
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin alpha-X
Peptide B name
Integrin alpha-X
Peptide A accession
P20702
Peptide B accession
P20702
Peptide A residue number
712
Peptide B residue number
655

Ligandability

Cysteine 712 of Integrin alpha-X

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 655 of Integrin alpha-X

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 between two units of Integrin alpha-X at cysteines 655 and 655 (636 and 636 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
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)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin alpha-X
Peptide B name
Integrin alpha-X
Peptide A accession
P20702
Peptide B accession
P20702
Peptide A residue number
655
Peptide B residue number
655

Ligandability

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 alpha-X between cysteines 116 and 145 (97 and 126 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 ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
116
Residue number B
145
Peptide name
Integrin alpha-X

Ligandability

Cysteine 116 of Integrin alpha-X

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 145 of Integrin alpha-X

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 alpha-X between cysteines 771 and 777 (752 and 758 respectively in this structure).

Details

Redox score ?
85
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
771
Residue number B
777
Peptide name
Integrin alpha-X

Ligandability

Cysteine 771 of Integrin alpha-X

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 777 of Integrin alpha-X

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 alpha-X between cysteines 848 and 863 (829 and 844 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 ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
848
Residue number B
863
Peptide name
Integrin alpha-X

Ligandability

Cysteine 848 of Integrin alpha-X

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 863 of Integrin alpha-X

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 alpha-X between cysteines 639 and 722 (620 and 703 respectively in this structure).

Details

Redox score ?
84
PDB code
3k72
Structure name
structure of integrin alphax beta2
Structure deposition date
2009-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
639
Residue number B
722
Peptide name
Integrin alpha-X

Ligandability

Cysteine 639 of Integrin alpha-X

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 722 of Integrin alpha-X

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 alpha-X between cysteines 1022 and 1027 (1003 and 1008 respectively in this structure).

Details

Redox score ?
84
PDB code
4neh
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 ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
1022
Residue number B
1027
Peptide name
Integrin alpha-X

Ligandability

Cysteine 1022 of Integrin alpha-X

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 1027 of Integrin alpha-X

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 alpha-X between cysteines 495 and 506 (476 and 487 respectively in this structure).

Details

Redox score ?
82
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 ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
495
Residue number B
506
Peptide name
Integrin alpha-X

Ligandability

Cysteine 495 of Integrin alpha-X

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 alpha-X

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 alpha-X between cysteines 998 and 1032 (979 and 1013 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 ?
62
Minimum pKa ?
7
% buried
72
Peptide accession
P20702
Residue number A
998
Residue number B
1032
Peptide name
Integrin alpha-X

Ligandability

Cysteine 998 of Integrin alpha-X

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 1032 of Integrin alpha-X

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 alpha-X between cysteines 69 and 76 (50 and 57 respectively in this structure).

Details

Redox score ?
81
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)
3
Half-sphere exposure sum ?
69
Minimum pKa ?
7
% buried
62
Peptide accession
P20702
Residue number A
69
Residue number B
76
Peptide name
Integrin alpha-X

Ligandability

Cysteine 69 of Integrin alpha-X

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 76 of Integrin alpha-X

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 alpha-X between cysteines 108 and 126 (89 and 107 respectively in this structure).

Details

Redox score ?
78
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 ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20702
Residue number A
108
Residue number B
126
Peptide name
Integrin alpha-X

Ligandability

Cysteine 108 of Integrin alpha-X

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 126 of Integrin alpha-X

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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