ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

Intramolecular
Cysteine 33 and cysteine 66
Cysteine 43 and cysteine 56
A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 5 between cysteines 33 and 66.

Details

Redox score ?
80
PDB code
7w0r
Structure name
active state ci from q10-nadh dataset, subclass 1
Structure deposition date
2021-11-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
F1SV23
Residue number A
33
Residue number B
66
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

Ligandability

Cysteine 33 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

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 66 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

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] iron-sulfur protein 5 between cysteines 43 and 56.

Details

Redox score ?
79
PDB code
7v2e
Structure name
active state complex i from q10-nadh dataset
Structure deposition date
2021-08-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
7
% buried
50
Peptide accession
F1SV23
Residue number A
43
Residue number B
56
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

Ligandability

Cysteine 43 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

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 56 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

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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