ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gastricsin

Intramolecular
Cysteine 104 and cysteine 109
Cysteine 310 and cysteine 343
Cysteine 267 and cysteine 271
A redox-regulated disulphide may form within Gastricsin between cysteines 104 and 109 (45 and 50 respectively in this structure).

Details

Redox score ?
88
PDB code
1avf
Structure name
activation intermediate 2 of human gastricsin from human stomach
Structure deposition date
1997-09-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20142
Residue number A
104
Residue number B
109
Peptide name
Gastricsin

Ligandability

Cysteine 104 of Gastricsin

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 109 of Gastricsin

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 Gastricsin between cysteines 310 and 343 (251 and 284 respectively in this structure).

Details

Redox score ?
85
PDB code
1htr
Structure name
crystal and molecular structures of human progastricsin at 1
Structure deposition date
1994-10-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20142
Residue number A
310
Residue number B
343
Peptide name
Gastricsin

Ligandability

Cysteine 310 of Gastricsin

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 343 of Gastricsin

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 Gastricsin between cysteines 267 and 271 (208 and 212 respectively in this structure).

Details

Redox score ?
85
PDB code
1htr
Structure name
crystal and molecular structures of human progastricsin at 1
Structure deposition date
1994-10-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20142
Residue number A
267
Residue number B
271
Peptide name
Gastricsin

Ligandability

Cysteine 267 of Gastricsin

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 271 of Gastricsin

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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