ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium/iodide cotransporter

Intramolecular
Cysteine 310 and cysteine 483
Cysteine 175 and cysteine 398
Cysteine 298 and cysteine 299
Cysteine 91 and cysteine 298
A redox-regulated disulphide may form within Sodium/iodide cotransporter between cysteines 310 and 483.

Details

Redox score ?
89
PDB code
7uv0
Structure name
structure of the sodium/iodide symporter (nis) in complex with iodide and sodium
Structure deposition date
2022-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q63008
Residue number A
310
Residue number B
483
Peptide name
Sodium/iodide cotransporter

Ligandability

Cysteine 310 of Sodium/iodide 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 483 of Sodium/iodide 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 Sodium/iodide cotransporter between cysteines 175 and 398. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7uuz
Structure name
structure of the sodium/iodide symporter (nis) in complex with perrhenate and sodium
Structure deposition date
2022-04-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q63008
Residue number A
175
Residue number B
398
Peptide name
Sodium/iodide cotransporter

Ligandability

Cysteine 175 of Sodium/iodide 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 398 of Sodium/iodide 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 Sodium/iodide cotransporter between cysteines 298 and 299. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7uuz
Structure name
structure of the sodium/iodide symporter (nis) in complex with perrhenate and sodium
Structure deposition date
2022-04-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q63008
Residue number A
298
Residue number B
299
Peptide name
Sodium/iodide cotransporter

Ligandability

Cysteine 298 of Sodium/iodide 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 299 of Sodium/iodide 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 Sodium/iodide cotransporter between cysteines 91 and 298. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7uv0
Structure name
structure of the sodium/iodide symporter (nis) in complex with iodide and sodium
Structure deposition date
2022-04-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
77
Peptide accession
Q63008
Residue number A
91
Residue number B
298
Peptide name
Sodium/iodide cotransporter

Ligandability

Cysteine 91 of Sodium/iodide 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 298 of Sodium/iodide 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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