ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Equilibrative nucleoside transporter 1

Intramolecular
Cysteine 297 and cysteine 439
Cysteine 414 and cysteine 416
A redox-regulated disulphide may form within Equilibrative nucleoside transporter 1 between cysteines 297 and 439. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6ob6
Structure name
human equilibrative nucleoside transporter-1, s-(4-nitrobenzyl)-6- thioinosine bound, merohedrally twinned
Structure deposition date
2019-03-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
80
Peptide accession
Q99808
Residue number A
297
Residue number B
439
Peptide name
Equilibrative nucleoside transporter 1

Ligandability

Cysteine 297 of Equilibrative nucleoside transporter 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 439 of Equilibrative nucleoside transporter 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.

A redox-regulated disulphide may form within Equilibrative nucleoside transporter 1 between cysteines 414 and 416. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
6ob6
Structure name
human equilibrative nucleoside transporter-1, s-(4-nitrobenzyl)-6- thioinosine bound, merohedrally twinned
Structure deposition date
2019-03-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
97
Minimum pKa ?
12
% buried
100
Peptide accession
Q99808
Residue number A
414
Residue number B
416
Peptide name
Equilibrative nucleoside transporter 1

Ligandability

Cysteine 414 of Equilibrative nucleoside transporter 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 416 of Equilibrative nucleoside transporter 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.

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