ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Intramolecular
Cysteine 155 and cysteine 187
Cysteine 113 and cysteine 143
Cysteine 165 and cysteine 177
Cysteine 123 and cysteine 133
A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 between cysteines 155 and 187 (78 and 110 respectively in this structure).

Details

Redox score ?
80
PDB code
7vz8
Structure name
membrane arm of deactive state ci from q1-nadh dataset
Structure deposition date
2021-11-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
25
Peptide accession
F1SLR1
Residue number A
155
Residue number B
187
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 155 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 187 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 8 between cysteines 113 and 143 (36 and 66 respectively in this structure).

Details

Redox score ?
80
PDB code
7vzv
Structure name
active state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
62
Minimum pKa ?
7
% buried
70
Peptide accession
F1SLR1
Residue number A
113
Residue number B
143
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 113 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 143 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 8 between cysteines 165 and 177 (88 and 100 respectively in this structure).

Details

Redox score ?
75
PDB code
7w2k
Structure name
deactive state ci from rotenone-nadh dataset, subclass 1
Structure deposition date
2021-11-24
Thiol separation (Å)
3
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
46
Peptide accession
F1SLR1
Residue number A
165
Residue number B
177
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 165 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 177 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 8 between cysteines 123 and 133 (46 and 56 respectively in this structure).

Details

Redox score ?
72
PDB code
7w4q
Structure name
deactive state ci from q1-nadh dataset, subclass 6
Structure deposition date
2021-11-28
Thiol separation (Å)
3
Half-sphere exposure sum ?
74
Minimum pKa ?
9
% buried
85
Peptide accession
F1SLR1
Residue number A
123
Residue number B
133
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 123 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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 133 of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

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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