ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Integrin alpha-V

Intramolecular
Cysteine 626 and cysteine 632
Cysteine 852 and cysteine 914
Cysteine 89 and cysteine 97
Cysteine 698 and cysteine 711
Cysteine 904 and cysteine 909
Cysteine 138 and cysteine 158
Cysteine 172 and cysteine 185
Cysteine 508 and cysteine 565
Cysteine 491 and cysteine 502
Cysteine 158 and cysteine 172
More...
Cysteine 158 and cysteine 185
Cysteine 138 and cysteine 172
A redox-regulated disulphide may form within Integrin alpha-V between cysteines 626 and 632 (596 and 602 respectively in this structure).

Details

Redox score ?
88
PDB code
4g1m
Structure name
re-refinement of alpha v beta 3 structure
Structure deposition date
2012-07-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
626
Residue number B
632
Peptide name
Integrin alpha-V

Ligandability

Cysteine 626 of Integrin alpha-V

Cysteine 632 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 852 and 914 (822 and 884 respectively in this structure).

Details

Redox score ?
87
PDB code
1u8c
Structure name
a novel adaptation of the integrin psi domain revealed from its crystal structure
Structure deposition date
2004-08-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
852
Residue number B
914
Peptide name
Integrin alpha-V

Ligandability

Cysteine 852 of Integrin alpha-V

Cysteine 914 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 89 and 97 (59 and 67 respectively in this structure).

Details

Redox score ?
85
PDB code
6mk0
Structure name
integrin alphavbeta3 ectodomain bound to antagonist tdi-4161
Structure deposition date
2018-09-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
89
Residue number B
97
Peptide name
Integrin alpha-V

Ligandability

Cysteine 89 of Integrin alpha-V

Cysteine 97 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 698 and 711 (668 and 681 respectively in this structure).

Details

Redox score ?
84
PDB code
4mmz
Structure name
integrin alphavbeta3 ectodomain bound to an antagonistic tenth domain of fibronectin
Structure deposition date
2013-09-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
698
Residue number B
711
Peptide name
Integrin alpha-V

Ligandability

Cysteine 698 of Integrin alpha-V

Cysteine 711 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 904 and 909 (874 and 879 respectively in this structure).

Details

Redox score ?
84
PDB code
4mmz
Structure name
integrin alphavbeta3 ectodomain bound to an antagonistic tenth domain of fibronectin
Structure deposition date
2013-09-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
904
Residue number B
909
Peptide name
Integrin alpha-V

Ligandability

Cysteine 904 of Integrin alpha-V

Cysteine 909 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 138 and 158 (108 and 128 respectively in this structure).

Details

Redox score ?
80
PDB code
6msl
Structure name
integrin alphavbeta3 ectodomain bound to eeti-ii 2
Structure deposition date
2018-10-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
138
Residue number B
158
Peptide name
Integrin alpha-V

Ligandability

Cysteine 138 of Integrin alpha-V

Cysteine 158 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 172 and 185 (142 and 155 respectively in this structure).

Details

Redox score ?
79
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 ?
101
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
172
Residue number B
185
Peptide name
Integrin alpha-V

Ligandability

Cysteine 172 of Integrin alpha-V

Cysteine 185 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 508 and 565 (478 and 535 respectively in this structure).

Details

Redox score ?
74
PDB code
6ujb
Structure name
integrin alpha-v beta-8 in complex with the fabs c6d4 and 11d12v2
Structure deposition date
2019-10-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
10
Peptide accession
P06756
Residue number A
508
Residue number B
565
Peptide name
Integrin alpha-V

Ligandability

Cysteine 508 of Integrin alpha-V

Cysteine 565 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 491 and 502 (461 and 472 respectively in this structure).

Details

Redox score ?
70
PDB code
4mmz
Structure name
integrin alphavbeta3 ectodomain bound to an antagonistic tenth domain of fibronectin
Structure deposition date
2013-09-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
28
Peptide accession
P06756
Residue number A
491
Residue number B
502
Peptide name
Integrin alpha-V

Ligandability

Cysteine 491 of Integrin alpha-V

Cysteine 502 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 158 and 172 (128 and 142 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
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 ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
158
Residue number B
172
Peptide name
Integrin alpha-V

Ligandability

Cysteine 158 of Integrin alpha-V

Cysteine 172 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 158 and 185 (128 and 155 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
6om2
Structure name
crystal structure of atypical integrin alphav beta8 with protgf-beta1 ligand peptide
Structure deposition date
2019-04-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
99
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
158
Residue number B
185
Peptide name
Integrin alpha-V

Ligandability

Cysteine 158 of Integrin alpha-V

Cysteine 185 of Integrin alpha-V

A redox-regulated disulphide may form within Integrin alpha-V between cysteines 138 and 172 (108 and 142 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6msu
Structure name
integrin alphavbeta3 in complex with eeti-ii 2
Structure deposition date
2018-10-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
98
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06756
Residue number A
138
Residue number B
172
Peptide name
Integrin alpha-V

Ligandability

Cysteine 138 of Integrin alpha-V

Cysteine 172 of Integrin alpha-V

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