ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Intermolecular
Cysteine 150 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 183
Cysteine 153 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 183
Intramolecular
Cysteine 92 and cysteine 186
Cysteine 164 and cysteine 194
Cysteine 92 and cysteine 156
Cysteine 99 and cysteine 194
Cysteine 99 and cysteine 100
Cysteine 99 and cysteine 164
Cysteine 156 and cysteine 173
Cysteine 92 and cysteine 173
A redox-regulated disulphide may form between cysteine 150 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5xtd
Structure name
cryo-em structure of human respiratory complex i
Structure deposition date
2017-06-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Peptide A accession
O00217
Peptide B accession
O75251
Peptide A residue number
150
Peptide B residue number
183

Ligandability

Cysteine 150 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form between cysteine 153 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5xtb
Structure name
cryo-em structure of human respiratory complex i matrix arm
Structure deposition date
2017-06-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
98
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Peptide A accession
O00217
Peptide B accession
O75251
Peptide A residue number
153
Peptide B residue number
183

Ligandability

Cysteine 153 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 92 and 186 (55 and 149 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
5lc5
Structure name
structure of mammalian respiratory complex i, class2
Structure deposition date
2016-06-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
95
Minimum pKa ?
10
% buried
100
Peptide accession
P42026
Residue number A
92
Residue number B
186
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 92 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 186 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 164 and 194 (129 and 159 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
99
Minimum pKa ?
11
% buried
100
Peptide accession
Q9DC70
Residue number A
164
Residue number B
194
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 164 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 194 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 92 and 156 (55 and 119 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5o31
Structure name
mitochondrial complex i in the deactive state
Structure deposition date
2017-05-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
11
% buried
100
Peptide accession
P42026
Residue number A
92
Residue number B
156
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 92 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 156 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 99 and 194 (64 and 159 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
96
Minimum pKa ?
11
% buried
100
Peptide accession
Q9DC70
Residue number A
99
Residue number B
194
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 99 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 194 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 99 and 100 (64 and 65 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
Q9DC70
Residue number A
99
Residue number B
100
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 99 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 100 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 99 and 164 (64 and 129 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6g72
Structure name
mouse mitochondrial complex i in the deactive state
Structure deposition date
2018-04-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
Q9DC70
Residue number A
99
Residue number B
164
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 99 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 164 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 156 and 173 (119 and 136 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5ldx
Structure name
structure of mammalian respiratory complex i, class3
Structure deposition date
2016-06-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
11
% buried
100
Peptide accession
P42026
Residue number A
156
Residue number B
173
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 156 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 173 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial between cysteines 92 and 173 (55 and 136 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
5lc5
Structure name
structure of mammalian respiratory complex i, class2
Structure deposition date
2016-06-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P42026
Residue number A
92
Residue number B
173
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Ligandability

Cysteine 92 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

Cysteine 173 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

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