ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CMP-sialic acid transporter

Intramolecular
Cysteine 127 and cysteine 131
Cysteine 127 and cysteine 187
A redox-regulated disulphide may form within CMP-sialic acid transporter between cysteines 127 and 131.

Details

Redox score ?
72
PDB code
6oh4
Structure name
x-ray crystal structure of the mouse cmp-sialic acid transporter in complex with cmp, by hanging drop vapor diffusion
Structure deposition date
2019-04-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
7
% buried
45
Peptide accession
Q61420
Residue number A
127
Residue number B
131
Peptide name
CMP-sialic acid transporter

Ligandability

Cysteine 127 of CMP-sialic acid transporter

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 131 of CMP-sialic acid transporter

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 CMP-sialic acid transporter between cysteines 127 and 187. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6oh3
Structure name
x-ray crystal structure of the mouse cmp-sialic acid transporter in complex with cmp-sialic acid, by lipidic cubic phase
Structure deposition date
2019-04-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
58
Peptide accession
Q61420
Residue number A
127
Residue number B
187
Peptide name
CMP-sialic acid transporter

Ligandability

Cysteine 127 of CMP-sialic acid transporter

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 187 of CMP-sialic acid transporter

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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