ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Integrin beta-6

Intramolecular
Cysteine 481 and cysteine 788
Cysteine 31 and cysteine 454
Cysteine 467 and cysteine 479
Cysteine 481 and cysteine 490
Cysteine 456 and cysteine 476
Cysteine 44 and cysteine 70
Cysteine 23 and cysteine 41
Cysteine 426 and cysteine 452
Cysteine 394 and cysteine 406
Cysteine 252 and cysteine 293
More...
Cysteine 34 and cysteine 59
Cysteine 197 and cysteine 204
Cysteine 479 and cysteine 481
Cysteine 31 and cysteine 476
Cysteine 31 and cysteine 456
Cysteine 467 and cysteine 481
Cysteine 41 and cysteine 59
Cysteine 467 and cysteine 490
Cysteine 454 and cysteine 456
Cysteine 454 and cysteine 476
Cysteine 479 and cysteine 490
Cysteine 23 and cysteine 59
Cysteine 467 and cysteine 788
Cysteine 23 and cysteine 34
Cysteine 34 and cysteine 41
Cysteine 31 and cysteine 34
Cysteine 479 and cysteine 788
Cysteine 34 and cysteine 454
Cysteine 31 and cysteine 59
Cysteine 59 and cysteine 454
Cysteine 452 and cysteine 454
Cysteine 34 and cysteine 476
Cysteine 34 and cysteine 456
Cysteine 44 and cysteine 456
Cysteine 34 and cysteine 44
Cysteine 31 and cysteine 44
A redox-regulated disulphide may form within Integrin beta-6 between cysteines 481 and 788 (464 and 473 respectively in this structure).

Details

Redox score ?
90
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
481
Residue number B
788
Peptide name
Integrin beta-6

Ligandability

Cysteine 481 of Integrin beta-6

Cysteine 788 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 454 (14 and 437 respectively in this structure).

Details

Redox score ?
88
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
454
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 454 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 467 and 479 (450 and 462 respectively in this structure).

Details

Redox score ?
88
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
467
Residue number B
479
Peptide name
Integrin beta-6

Ligandability

Cysteine 467 of Integrin beta-6

Cysteine 479 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 481 and 490 (464 and 473 respectively in this structure).

Details

Redox score ?
88
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
481
Residue number B
490
Peptide name
Integrin beta-6

Ligandability

Cysteine 481 of Integrin beta-6

Cysteine 490 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 456 and 476 (439 and 459 respectively in this structure).

Details

Redox score ?
86
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
456
Residue number B
476
Peptide name
Integrin beta-6

Ligandability

Cysteine 456 of Integrin beta-6

Cysteine 476 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 44 and 70 (27 and 53 respectively in this structure).

Details

Redox score ?
86
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
44
Residue number B
70
Peptide name
Integrin beta-6

Ligandability

Cysteine 44 of Integrin beta-6

Cysteine 70 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 23 and 41 (6 and 24 respectively in this structure).

Details

Redox score ?
86
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
23
Residue number B
41
Peptide name
Integrin beta-6

Ligandability

Cysteine 23 of Integrin beta-6

Cysteine 41 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 426 and 452 (409 and 435 respectively in this structure).

Details

Redox score ?
85
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
426
Residue number B
452
Peptide name
Integrin beta-6

Ligandability

Cysteine 426 of Integrin beta-6

Cysteine 452 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 394 and 406 (377 and 389 respectively in this structure).

Details

Redox score ?
84
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
394
Residue number B
406
Peptide name
Integrin beta-6

Ligandability

Cysteine 394 of Integrin beta-6

Cysteine 406 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 252 and 293 (235 and 276 respectively in this structure).

Details

Redox score ?
83
PDB code
5ffo
Structure name
integrin alpha v beta 6 in complex with pro-tgf-beta
Structure deposition date
2015-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
252
Residue number B
293
Peptide name
Integrin beta-6

Ligandability

Cysteine 252 of Integrin beta-6

Cysteine 293 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 59 (17 and 42 respectively in this structure).

Details

Redox score ?
82
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
59
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 59 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 197 and 204 (180 and 187 respectively in this structure).

Details

Redox score ?
80
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
197
Residue number B
204
Peptide name
Integrin beta-6

Ligandability

Cysteine 197 of Integrin beta-6

Cysteine 204 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 479 and 481 (462 and 464 respectively in this structure).

Details

Redox score ?
74
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
479
Residue number B
481
Peptide name
Integrin beta-6

Ligandability

Cysteine 479 of Integrin beta-6

Cysteine 481 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 476 (14 and 459 respectively in this structure).

Details

Redox score ?
74
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
476
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 476 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 456 (14 and 439 respectively in this structure).

Details

Redox score ?
74
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
456
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 456 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 467 and 481 (450 and 464 respectively in this structure).

Details

Redox score ?
72
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
467
Residue number B
481
Peptide name
Integrin beta-6

Ligandability

Cysteine 467 of Integrin beta-6

Cysteine 481 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 41 and 59 (24 and 42 respectively in this structure).

Details

Redox score ?
72
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
41
Residue number B
59
Peptide name
Integrin beta-6

Ligandability

Cysteine 41 of Integrin beta-6

Cysteine 59 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 467 and 490 (450 and 473 respectively in this structure).

Details

Redox score ?
71
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
467
Residue number B
490
Peptide name
Integrin beta-6

Ligandability

Cysteine 467 of Integrin beta-6

Cysteine 490 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 454 and 456 (437 and 439 respectively in this structure).

Details

Redox score ?
70
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
454
Residue number B
456
Peptide name
Integrin beta-6

Ligandability

Cysteine 454 of Integrin beta-6

Cysteine 456 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 454 and 476 (437 and 459 respectively in this structure).

Details

Redox score ?
70
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
454
Residue number B
476
Peptide name
Integrin beta-6

Ligandability

Cysteine 454 of Integrin beta-6

Cysteine 476 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 479 and 490 (462 and 473 respectively in this structure).

Details

Redox score ?
67
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
479
Residue number B
490
Peptide name
Integrin beta-6

Ligandability

Cysteine 479 of Integrin beta-6

Cysteine 490 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 23 and 59 (6 and 42 respectively in this structure).

Details

Redox score ?
64
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
23
Residue number B
59
Peptide name
Integrin beta-6

Ligandability

Cysteine 23 of Integrin beta-6

Cysteine 59 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 467 and 788 (450 and 473 respectively in this structure).

Details

Redox score ?
63
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
467
Residue number B
788
Peptide name
Integrin beta-6

Ligandability

Cysteine 467 of Integrin beta-6

Cysteine 788 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 23 and 34 (6 and 17 respectively in this structure).

Details

Redox score ?
62
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
23
Residue number B
34
Peptide name
Integrin beta-6

Ligandability

Cysteine 23 of Integrin beta-6

Cysteine 34 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 41 (17 and 24 respectively in this structure).

Details

Redox score ?
62
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
41
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 41 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 34 (14 and 17 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
34
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 34 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 479 and 788 (462 and 473 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
479
Residue number B
788
Peptide name
Integrin beta-6

Ligandability

Cysteine 479 of Integrin beta-6

Cysteine 788 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 454 (17 and 437 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
7
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
454
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 454 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 59 (14 and 42 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
59
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 59 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 59 and 454 (42 and 437 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
59
Residue number B
454
Peptide name
Integrin beta-6

Ligandability

Cysteine 59 of Integrin beta-6

Cysteine 454 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 452 and 454 (435 and 437 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
452
Residue number B
454
Peptide name
Integrin beta-6

Ligandability

Cysteine 452 of Integrin beta-6

Cysteine 454 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 476 (17 and 459 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
476
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 476 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 456 (17 and 439 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
456
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 456 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 44 and 456 (27 and 439 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
41
Minimum pKa ?
10
% buried
nan
Peptide accession
P18564
Residue number A
44
Residue number B
456
Peptide name
Integrin beta-6

Ligandability

Cysteine 44 of Integrin beta-6

Cysteine 456 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 34 and 44 (17 and 27 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4um8
Structure name
crystal structure of alpha v beta 6
Structure deposition date
2014-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
34
Residue number B
44
Peptide name
Integrin beta-6

Ligandability

Cysteine 34 of Integrin beta-6

Cysteine 44 of Integrin beta-6

A redox-regulated disulphide may form within Integrin beta-6 between cysteines 31 and 44 (14 and 27 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4um9
Structure name
crystal structure of alpha v beta 6 with peptide
Structure deposition date
2014-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18564
Residue number A
31
Residue number B
44
Peptide name
Integrin beta-6

Ligandability

Cysteine 31 of Integrin beta-6

Cysteine 44 of Integrin beta-6

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