ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

Intermolecular
Cysteine 149 and cysteine 141 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial
Intramolecular
Cysteine 77 and cysteine 84
Cysteine 113 and cysteine 125
Cysteine 84 and cysteine 155
A redox-regulated disulphide may form between cysteine 149 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 and cysteine 141 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial.

Details

Redox score ?
81
PDB code
5xtc
Structure name
cryo-em structure of human respiratory complex i transmembrane arm
Structure deposition date
2017-06-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide A name
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10
Peptide B name
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial
Peptide A accession
O96000
Peptide B accession
Q9NX14
Peptide A residue number
149
Peptide B residue number
141

Ligandability

Cysteine 149 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 141 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial

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 beta subcomplex subunit 10 between cysteines 77 and 84 (76 and 83 respectively in this structure).

Details

Redox score ?
82
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9DCS9
Residue number A
77
Residue number B
84
Peptide name
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

Ligandability

Cysteine 77 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 84 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 beta subcomplex subunit 10 between cysteines 113 and 125 (112 and 124 respectively in this structure).

Details

Redox score ?
74
PDB code
7ak6
Structure name
cryo-em structure of nd6-p25l mutant respiratory complex i from mus musculus at 3
Structure deposition date
2020-09-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
8
% buried
70
Peptide accession
Q9DCS9
Residue number A
113
Residue number B
125
Peptide name
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

Ligandability

Cysteine 113 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 125 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 beta subcomplex subunit 10 between cysteines 84 and 155. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7dh0
Structure name
activity optimized complex i (open form)
Structure deposition date
2020-11-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
53
Peptide accession
Q02373
Residue number A
84
Residue number B
155
Peptide name
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

Ligandability

Cysteine 84 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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 155 of NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

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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