ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Phosphoglycerate kinase 1

Intramolecular
Cysteine 99 and cysteine 108 L
Cysteine 379 and cysteine 380 L
A redox-regulated disulphide may form within Phosphoglycerate kinase 1 between cysteines 99 and 108 (98 and 107 respectively in this structure).

Details

Redox score ?
84
PDB code
3c3a
Structure name
crystal structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and l-adp
Structure deposition date
2008-01-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00558
Residue number A
99
Residue number B
108
Peptide name
Phosphoglycerate kinase 1

Ligandability

Cysteine 99 of Phosphoglycerate kinase 1

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 108 of Phosphoglycerate kinase 1

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Phosphoglycerate kinase 1 between cysteines 379 and 380 (378 and 379 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5m1r
Structure name
x-ray structure of human g166d pgk-1 mutant
Structure deposition date
2016-10-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
76
Peptide accession
P00558
Residue number A
379
Residue number B
380
Peptide name
Phosphoglycerate kinase 1

Ligandability

Cysteine 379 of Phosphoglycerate kinase 1

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 380 of Phosphoglycerate kinase 1

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.

Ligandable in the dataset of Kuljanin et al.

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