ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium/hydrogen exchanger 3

Intramolecular
Cysteine 315 and cysteine 319
Cysteine 318 and cysteine 319
Cysteine 315 and cysteine 318
A redox-regulated disulphide may form within Sodium/hydrogen exchanger 3 between cysteines 315 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7x2u
Structure name
structure of a human nhe3-chp1 complex in the autoinhibited state
Structure deposition date
2022-02-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
93
Minimum pKa ?
12
% buried
100
Peptide accession
P48764
Residue number A
315
Residue number B
319
Peptide name
Sodium/hydrogen exchanger 3

Ligandability

Cysteine 315 of Sodium/hydrogen exchanger 3

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 319 of Sodium/hydrogen exchanger 3

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/hydrogen exchanger 3 between cysteines 318 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7x2u
Structure name
structure of a human nhe3-chp1 complex in the autoinhibited state
Structure deposition date
2022-02-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
95
Peptide accession
P48764
Residue number A
318
Residue number B
319
Peptide name
Sodium/hydrogen exchanger 3

Ligandability

Cysteine 318 of Sodium/hydrogen exchanger 3

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 319 of Sodium/hydrogen exchanger 3

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/hydrogen exchanger 3 between cysteines 315 and 318. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7x2u
Structure name
structure of a human nhe3-chp1 complex in the autoinhibited state
Structure deposition date
2022-02-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
89
Minimum pKa ?
12
% buried
95
Peptide accession
P48764
Residue number A
315
Residue number B
318
Peptide name
Sodium/hydrogen exchanger 3

Ligandability

Cysteine 315 of Sodium/hydrogen exchanger 3

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 318 of Sodium/hydrogen exchanger 3

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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