ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NAD(P) transhydrogenase, mitochondrial

Intramolecular
Cysteine 630 and cysteine 631
Cysteine 936 and cysteine 1073
A redox-regulated disulphide may form within NAD(P) transhydrogenase, mitochondrial between cysteines 630 and 631 (587 and 588 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6que
Structure name
structure of ovine transhydrogenase in the presence of nadp+ in a "single face-down" conformation
Structure deposition date
2019-02-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
95
Peptide accession
W5PFI3
Residue number A
630
Residue number B
631
Peptide name
NAD(P) transhydrogenase, mitochondrial

Ligandability

Cysteine 630 of NAD(P) transhydrogenase, mitochondrial

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 631 of NAD(P) transhydrogenase, mitochondrial

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 NAD(P) transhydrogenase, mitochondrial between cysteines 936 and 1073 (893 and 1030 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6s59
Structure name
structure of ovine transhydrogenase in the apo state
Structure deposition date
2019-07-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
77
Peptide accession
W5PFI3
Residue number A
936
Residue number B
1073
Peptide name
NAD(P) transhydrogenase, mitochondrial

Ligandability

Cysteine 936 of NAD(P) transhydrogenase, mitochondrial

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 1073 of NAD(P) transhydrogenase, mitochondrial

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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