ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Intramolecular
Cysteine 78 and cysteine 110 L
Cysteine 36 and cysteine 66 L
Cysteine 88 and cysteine 100 L
Cysteine 46 and cysteine 56
A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 between cysteines 78 and 110 (77 and 109 respectively in this structure).

Details

Redox score ?
81
PDB code
7r4g
Structure name
bovine complex i in the presence of im1761092, slack class ii (composite map)
Structure deposition date
2022-02-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
24
Peptide accession
P42029
Residue number A
78
Residue number B
110
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 78 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 110 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.

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 36 and 66 (35 and 65 respectively in this structure).

Details

Redox score ?
79
PDB code
7qsk
Structure name
bovine complex i in lipid nanodisc, active-q10
Structure deposition date
2022-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
63
Minimum pKa ?
7
% buried
72
Peptide accession
P42029
Residue number A
36
Residue number B
66
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 36 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 66 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.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

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 88 and 100 (87 and 99 respectively in this structure).

Details

Redox score ?
77
PDB code
7r43
Structure name
bovine complex i in the presence of im1761092, active class iii (composite map)
Structure deposition date
2022-02-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
48
Peptide accession
P42029
Residue number A
88
Residue number B
100
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 88 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 100 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 46 and 56 (45 and 55 respectively in this structure).

Details

Redox score ?
75
PDB code
7r43
Structure name
bovine complex i in the presence of im1761092, active class iii (composite map)
Structure deposition date
2022-02-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
80
Peptide accession
P42029
Residue number A
46
Residue number B
56
Peptide name
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8

Ligandability

Cysteine 46 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 56 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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