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.

Details

Redox score ?
77
PDB code
7v2k
Structure name
deactive state complex i from dq-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
68
Minimum pKa ?
9
% buried
18
Peptide accession
I3LGM4
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.

Details

Redox score ?
75
PDB code
7w1z
Structure name
active state ci from rotenone-nadh dataset, subclass 2
Structure deposition date
2021-11-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
40
Peptide accession
I3LGM4
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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