ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tissue factor

Intermolecular
Cysteine 77 of Coagulation factor VII and cysteine 241
Intramolecular
Cysteine 218 and cysteine 241
Cysteine 81 and cysteine 89
Cysteine 216 and cysteine 239
A redox-regulated disulphide may form between cysteine 77 of Coagulation factor VII and cysteine 241 of Tissue factor (17 and 209 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
2aei
Structure name
crystal structure of a ternary complex of factor viia/tissue factor and 2-[[6-[3-(aminoiminomethyl)phenoxy]-3,5-difluro-4-[(1-methyl-3- phenylpropyl)amino]-2-pyridinyl]oxy]-benzoic acid
Structure deposition date
2005-07-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor VII
Peptide B name
Tissue factor
Peptide A accession
P08709
Peptide B accession
P13726
Peptide A residue number
77
Peptide B residue number
241

Ligandability

Cysteine 77 of Coagulation factor VII

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 241 of Tissue factor

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 Tissue factor between cysteines 218 and 241 (186 and 209 respectively in this structure).

Details

Redox score ?
86
PDB code
1ahw
Structure name
a complex of extracellular domain of tissue factor with an inhibitory fab (5g9)
Structure deposition date
1997-04-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13726
Residue number A
218
Residue number B
241
Peptide name
Tissue factor

Ligandability

Cysteine 218 of Tissue factor

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 241 of Tissue factor

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 Tissue factor between cysteines 81 and 89 (49 and 57 respectively in this structure).

Details

Redox score ?
85
PDB code
1ahw
Structure name
a complex of extracellular domain of tissue factor with an inhibitory fab (5g9)
Structure deposition date
1997-04-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P13726
Residue number A
81
Residue number B
89
Peptide name
Tissue factor

Ligandability

Cysteine 81 of Tissue factor

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 89 of Tissue factor

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 Tissue factor between cysteines 216 and 239 (184 and 207 respectively in this structure).

Details

Redox score ?
83
PDB code
1a21
Structure name
tissue factor (tf) from rabbit
Structure deposition date
1998-01-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
P24055
Residue number A
216
Residue number B
239
Peptide name
Tissue factor

Ligandability

Cysteine 216 of Tissue factor

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 239 of Tissue factor

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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