ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Integrin beta-7

Intramolecular
Cysteine 448 and cysteine 474
Cysteine 271 and cysteine 311 L
Cysteine 216 and cysteine 223
Cysteine 412 and cysteine 428
A redox-regulated disulphide may form within Integrin beta-7 between cysteines 448 and 474 (429 and 455 respectively in this structure).

Details

Redox score ?
89
PDB code
3v4v
Structure name
crystal structure of a4b7 headpiece complexed with fab act-1 and ro0505376
Structure deposition date
2011-12-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P26010
Residue number A
448
Residue number B
474
Peptide name
Integrin beta-7

Ligandability

Cysteine 448 of Integrin beta-7

Cysteine 474 of Integrin beta-7

A redox-regulated disulphide may form within Integrin beta-7 between cysteines 271 and 311 (252 and 292 respectively in this structure).

Details

Redox score ?
86
PDB code
3v4p
Structure name
crystal structure of a4b7 headpiece complexed with fab act-1
Structure deposition date
2011-12-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P26010
Residue number A
271
Residue number B
311
Peptide name
Integrin beta-7

Ligandability

Cysteine 271 of Integrin beta-7

Cysteine 311 of Integrin beta-7

A redox-regulated disulphide may form within Integrin beta-7 between cysteines 216 and 223 (197 and 204 respectively in this structure).

Details

Redox score ?
85
PDB code
3v4v
Structure name
crystal structure of a4b7 headpiece complexed with fab act-1 and ro0505376
Structure deposition date
2011-12-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P26010
Residue number A
216
Residue number B
223
Peptide name
Integrin beta-7

Ligandability

Cysteine 216 of Integrin beta-7

Cysteine 223 of Integrin beta-7

A redox-regulated disulphide may form within Integrin beta-7 between cysteines 412 and 428 (393 and 409 respectively in this structure).

Details

Redox score ?
83
PDB code
3v4v
Structure name
crystal structure of a4b7 headpiece complexed with fab act-1 and ro0505376
Structure deposition date
2011-12-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P26010
Residue number A
412
Residue number B
428
Peptide name
Integrin beta-7

Ligandability

Cysteine 412 of Integrin beta-7

Cysteine 428 of Integrin beta-7

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