ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Na(+)/citrate cotransporter

Intramolecular
Cysteine 50 and cysteine 462
Cysteine 211 and cysteine 213
A redox-regulated disulphide may form within Na(+)/citrate cotransporter between cysteines 50 and 462. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7jsj
Structure name
structure of the nact-pf2 complex
Structure deposition date
2020-08-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
29
Peptide accession
Q86YT5
Residue number A
50
Residue number B
462
Peptide name
Na(+)/citrate cotransporter

Ligandability

Cysteine 50 of Na(+)/citrate cotransporter

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 462 of Na(+)/citrate cotransporter

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 Na(+)/citrate cotransporter between cysteines 211 and 213. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7jsj
Structure name
structure of the nact-pf2 complex
Structure deposition date
2020-08-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
101
Minimum pKa ?
13
% buried
100
Peptide accession
Q86YT5
Residue number A
211
Residue number B
213
Peptide name
Na(+)/citrate cotransporter

Ligandability

Cysteine 211 of Na(+)/citrate cotransporter

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 213 of Na(+)/citrate cotransporter

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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