ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Ecotin

Intermolecular
Cysteine 261 of Coagulation factor X and cysteine 70
Cysteine 432 of Coagulation factor XI and cysteine 107
Cysteine 70 and cysteine 55 of Neutrophil elastase
Cysteine 416 of Coagulation factor XI and cysteine 70
Cysteine 277 of Coagulation factor X and cysteine 70
Cysteine 70 and cysteine 71 of Neutrophil elastase
A redox-regulated disulphide may form between cysteine 261 of Coagulation factor X and cysteine 70 of Ecotin (42 and 50 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1p0s
Structure name
crystal structure of blood coagulation factor xa in complex with ecotin m84r
Structure deposition date
2003-04-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor X
Peptide B name
Ecotin
Peptide A accession
P00742
Peptide B accession
P23827
Peptide A residue number
261
Peptide B residue number
70

Ligandability

Cysteine 261 of Coagulation factor X

Cysteine 70 of Ecotin

A redox-regulated disulphide may form between cysteine 432 of Coagulation factor XI and cysteine 107 of Ecotin (58 and 87 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1xxd
Structure name
crystal structure of the fxia catalytic domain in complex with mutated ecotin
Structure deposition date
2004-11-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor XI
Peptide B name
Ecotin
Peptide A accession
P03951
Peptide B accession
P23827
Peptide A residue number
432
Peptide B residue number
107

Ligandability

Cysteine 432 of Coagulation factor XI

Cysteine 107 of Ecotin

A redox-regulated disulphide may form between cysteine 70 of Ecotin and cysteine 55 of Neutrophil elastase (50 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 ?
44
PDB code
7cbk
Structure name
structure of human neutrophil elastase ecotin complex
Structure deposition date
2020-06-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ecotin
Peptide B name
Neutrophil elastase
Peptide A accession
P23827
Peptide B accession
P08246
Peptide A residue number
70
Peptide B residue number
55

Ligandability

Cysteine 70 of Ecotin

Cysteine 55 of Neutrophil elastase

A redox-regulated disulphide may form between cysteine 416 of Coagulation factor XI and cysteine 70 of Ecotin (40 and 50 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
1xx9
Structure name
crystal structure of the fxia catalytic domain in complex with ecotinm84r
Structure deposition date
2004-11-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor XI
Peptide B name
Ecotin
Peptide A accession
P03951
Peptide B accession
P23827
Peptide A residue number
416
Peptide B residue number
70

Ligandability

Cysteine 416 of Coagulation factor XI

Cysteine 70 of Ecotin

A redox-regulated disulphide may form between cysteine 277 of Coagulation factor X and cysteine 70 of Ecotin (58 and 50 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
1p0s
Structure name
crystal structure of blood coagulation factor xa in complex with ecotin m84r
Structure deposition date
2003-04-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide A name
Coagulation factor X
Peptide B name
Ecotin
Peptide A accession
P00742
Peptide B accession
P23827
Peptide A residue number
277
Peptide B residue number
70

Ligandability

Cysteine 277 of Coagulation factor X

Cysteine 70 of Ecotin

A redox-regulated disulphide may form between cysteine 70 of Ecotin and cysteine 71 of Neutrophil elastase (50 and 58 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
7cbk
Structure name
structure of human neutrophil elastase ecotin complex
Structure deposition date
2020-06-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ecotin
Peptide B name
Neutrophil elastase
Peptide A accession
P23827
Peptide B accession
P08246
Peptide A residue number
70
Peptide B residue number
71

Ligandability

Cysteine 70 of Ecotin

Cysteine 71 of Neutrophil elastase

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