ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

Intramolecular
Cysteine 18 and cysteine 75
Cysteine 95 and cysteine 115
A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 between cysteines 18 and 75 (17 and 74 respectively in this structure).

Details

Redox score ?
77
PDB code
7r48
Structure name
bovine complex i in the presence of im1761092, deactive class iv (composite map)
Structure deposition date
2022-02-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
68
Minimum pKa ?
9
% buried
30
Peptide accession
Q8HXG6
Residue number A
18
Residue number B
75
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

Ligandability

Cysteine 18 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

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 75 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

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 NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 between cysteines 95 and 115 (94 and 114 respectively in this structure).

Details

Redox score ?
74
PDB code
5o31
Structure name
mitochondrial complex i in the deactive state
Structure deposition date
2017-05-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
8
Peptide accession
Q8HXG6
Residue number A
95
Residue number B
115
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

Ligandability

Cysteine 95 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

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 115 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

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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