ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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

Intermolecular
Cysteine 150 and cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Cysteine 153 and cysteine 183 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Cysteine 128 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial and cysteine 116
Intramolecular
Cysteine 123 and cysteine 158 L
Cysteine 123 and cysteine 152 L
Cysteine 116 and cysteine 162
Cysteine 113 and cysteine 162
Cysteine 123 and cysteine 155 L
Cysteine 119 and cysteine 162 L
Cysteine 113 and cysteine 119 L
More...
Cysteine 116 and cysteine 119 L
Cysteine 155 and cysteine 158
Cysteine 113 and cysteine 116
Cysteine 158 and cysteine 162
Cysteine 152 and cysteine 155
Cysteine 152 and cysteine 158
Cysteine 119 and cysteine 123 L
Cysteine 119 and cysteine 158 L
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 between cysteine 128 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial and cysteine 116 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
7dgz
Structure name
activity optimized complex i (closed form)
Structure deposition date
2020-11-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
100
Peptide A name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial
Peptide A accession
P15690
Peptide B accession
P42028
Peptide A residue number
128
Peptide B residue number
116

Ligandability

Cysteine 128 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 116 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 123 and 158 (89 and 124 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7b93
Structure name
cryo-em structure of mitochondrial complex i from mus musculus inhibited by iacs-2858 at 3
Structure deposition date
2020-12-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
100
Peptide accession
Q8K3J1
Residue number A
123
Residue number B
158
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 123 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 158 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 123 and 152 (89 and 118 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7b93
Structure name
cryo-em structure of mitochondrial complex i from mus musculus inhibited by iacs-2858 at 3
Structure deposition date
2020-12-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
10
% buried
100
Peptide accession
Q8K3J1
Residue number A
123
Residue number B
152
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 123 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 152 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 116 and 162 (82 and 128 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
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)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
100
Peptide accession
Q8K3J1
Residue number A
116
Residue number B
162
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 116 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 162 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 113 and 162 (77 and 126 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7r42
Structure name
bovine complex i in the presence of im1761092, active class ii (composite map)
Structure deposition date
2022-02-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
10
% buried
100
Peptide accession
P42028
Residue number A
113
Residue number B
162
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 113 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 162 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 123 and 155 (89 and 121 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
6g72
Structure name
mouse mitochondrial complex i in the deactive state
Structure deposition date
2018-04-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
100
Peptide accession
Q8K3J1
Residue number A
123
Residue number B
155
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 123 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 155 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 119 and 162 (85 and 128 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
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
10
% buried
100
Peptide accession
Q8K3J1
Residue number A
119
Residue number B
162
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 119 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 162 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 113 and 119 (79 and 85 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7b93
Structure name
cryo-em structure of mitochondrial complex i from mus musculus inhibited by iacs-2858 at 3
Structure deposition date
2020-12-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
11
% buried
100
Peptide accession
Q8K3J1
Residue number A
113
Residue number B
119
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 113 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 119 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 116 and 119 (82 and 85 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7ak5
Structure name
cryo-em structure of respiratory complex i in the deactive state from mus musculus at 3
Structure deposition date
2020-09-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
100
Peptide accession
Q8K3J1
Residue number A
116
Residue number B
119
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 116 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 119 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 155 and 158 (121 and 124 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
7ak5
Structure name
cryo-em structure of respiratory complex i in the deactive state from mus musculus at 3
Structure deposition date
2020-09-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
13
% buried
100
Peptide accession
Q8K3J1
Residue number A
155
Residue number B
158
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 155 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 158 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 113 and 116 (77 and 80 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7qsn
Structure name
bovine complex i in lipid nanodisc, deactive-apo
Structure deposition date
2022-01-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide accession
P42028
Residue number A
113
Residue number B
116
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 113 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 116 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 158 and 162 (124 and 128 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7b93
Structure name
cryo-em structure of mitochondrial complex i from mus musculus inhibited by iacs-2858 at 3
Structure deposition date
2020-12-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
100
Peptide accession
Q8K3J1
Residue number A
158
Residue number B
162
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 158 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 162 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 152 and 155 (116 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 ?
40
PDB code
7qso
Structure name
bovine complex i in lipid nanodisc, state 3 (slack)
Structure deposition date
2022-01-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
95
Minimum pKa ?
14
% buried
100
Peptide accession
P42028
Residue number A
152
Residue number B
155
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 152 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 155 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 152 and 158 (118 and 124 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7b93
Structure name
cryo-em structure of mitochondrial complex i from mus musculus inhibited by iacs-2858 at 3
Structure deposition date
2020-12-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
15
% buried
100
Peptide accession
Q8K3J1
Residue number A
152
Residue number B
158
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 152 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 158 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 119 and 123 (85 and 89 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
100
Peptide accession
Q8K3J1
Residue number A
119
Residue number B
123
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 119 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 123 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial between cysteines 119 and 158 (85 and 124 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
16
% buried
100
Peptide accession
Q8K3J1
Residue number A
119
Residue number B
158
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Ligandability

Cysteine 119 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Cysteine 158 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

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