ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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

Intermolecular
Cysteine 152 and cysteine 166 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Cysteine 155 and cysteine 166 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial
Intramolecular
Cysteine 116 and cysteine 162
Cysteine 119 and cysteine 162
Cysteine 123 and cysteine 152
Cysteine 123 and cysteine 158
Cysteine 113 and cysteine 162
Cysteine 123 and cysteine 155
Cysteine 113 and cysteine 119
Cysteine 116 and cysteine 119
More...
Cysteine 155 and cysteine 158
Cysteine 119 and cysteine 123
Cysteine 113 and cysteine 116
Cysteine 152 and cysteine 155
Cysteine 119 and cysteine 158
Cysteine 158 and cysteine 162
Cysteine 152 and cysteine 158
A redox-regulated disulphide may form between cysteine 152 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 166 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 ?
44
PDB code
7v2k
Structure name
deactive state complex i from dq-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
94
Minimum pKa ?
7
% 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
A0A287BDC0
Peptide B accession
I3LK43
Peptide A residue number
152
Peptide B residue number
166

Ligandability

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

Cysteine 166 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

A redox-regulated disulphide may form between cysteine 155 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial and cysteine 166 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 ?
32
PDB code
7v33
Structure name
active state complex i from rotenone-nadh dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
9
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
A0A287BDC0
Peptide B accession
I3LK43
Peptide A residue number
155
Peptide B residue number
166

Ligandability

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

Cysteine 166 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

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

Details

Redox score ?
52
PDB code
7w00
Structure name
deactive state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-17
Thiol separation (Å)
6
Half-sphere exposure sum ?
84
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BDC0
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 119 and 162. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7v3m
Structure name
deactive state complex i from rotenone-nadh dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
79
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BDC0
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 123 and 152. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7w31
Structure name
deactive state ci from dq-nadh dataset, subclass 1
Structure deposition date
2021-11-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
83
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BDC0
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 123 and 158. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7vzv
Structure name
active state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
100
Peptide accession
A0A287BDC0
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 113 and 162. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7w4k
Structure name
deactive state ci from q1-nadh dataset, subclass 2
Structure deposition date
2021-11-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BDC0
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. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7w20
Structure name
active state ci from rotenone-nadh dataset, subclass 3
Structure deposition date
2021-11-21
Thiol separation (Å)
6
Half-sphere exposure sum ?
87
Minimum pKa ?
11
% buried
100
Peptide accession
A0A287BDC0
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 113 and 119. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7w4e
Structure name
active state ci from q1-nadh dataset, subclass 3
Structure deposition date
2021-11-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
100
Peptide accession
A0A287BDC0
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. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7w0r
Structure name
active state ci from q10-nadh dataset, subclass 1
Structure deposition date
2021-11-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
100
Peptide accession
A0A287BDC0
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. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7v2d
Structure name
deactive state complex i from q10 dataset
Structure deposition date
2021-08-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
13
% buried
100
Peptide accession
A0A287BDC0
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 119 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7v2h
Structure name
active state complex i from dq-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
100
Peptide accession
A0A287BDC0
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 113 and 116. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7w1t
Structure name
active state ci from rotenone dataset, subclass 1
Structure deposition date
2021-11-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide accession
A0A287BDC0
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 152 and 155. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7v30
Structure name
deactive state complex i from q1-nadh dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
A0A287BDC0
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 119 and 158. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7vzv
Structure name
active state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
15
% buried
100
Peptide accession
A0A287BDC0
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

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

Details

Redox score ?
39
PDB code
7w4m
Structure name
deactive state ci from q1-nadh dataset, subclass 4
Structure deposition date
2021-11-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BDC0
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 158. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7vz1
Structure name
matrix arm of deactive state ci from q1-nadh dataset
Structure deposition date
2021-11-15
Thiol separation (Å)
7
Half-sphere exposure sum ?
83
Minimum pKa ?
16
% buried
100
Peptide accession
A0A287BDC0
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

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