ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Grancalcin

Intramolecular
Cysteine 181 and cysteine 182
Cysteine 76 and cysteine 94
A redox-regulated disulphide may form within Grancalcin between cysteines 181 and 182. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1f4q
Structure name
crystal structure of apo grancalcin
Structure deposition date
2000-06-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
P28676
Residue number A
181
Residue number B
182
Peptide name
Grancalcin

Ligandability

Cysteine 181 of Grancalcin

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 182 of Grancalcin

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 Grancalcin between cysteines 76 and 94. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1f4o
Structure name
crystal structure of grancalcin with bound calcium
Structure deposition date
2000-06-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
77
Peptide accession
P28676
Residue number A
76
Residue number B
94
Peptide name
Grancalcin

Ligandability

Cysteine 76 of Grancalcin

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 94 of Grancalcin

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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