ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Intermolecular
Cysteine 382 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 75
Intramolecular
Cysteine 64 and cysteine 75
Cysteine 64 and cysteine 92
Cysteine 78 and cysteine 92
Cysteine 64 and cysteine 78
Cysteine 179 and cysteine 226
Cysteine 75 and cysteine 78
Cysteine 176 and cysteine 226
Cysteine 64 and cysteine 179
Cysteine 182 and cysteine 226
More...
Cysteine 131 and cysteine 137
Cysteine 128 and cysteine 131
Cysteine 176 and cysteine 179
Cysteine 179 and cysteine 182
Cysteine 75 and cysteine 179
Cysteine 176 and cysteine 182
Cysteine 137 and cysteine 226
Cysteine 128 and cysteine 137
Cysteine 131 and cysteine 226
Cysteine 367 and cysteine 554
Cysteine 53 and cysteine 78
Cysteine 75 and cysteine 92
A redox-regulated disulphide may form between cysteine 382 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 75 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
7w4m
Structure name
deactive state ci from q1-nadh dataset, subclass 4
Structure deposition date
2021-11-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
F1SHD7
Peptide A residue number
382
Peptide B residue number
75

Ligandability

Cysteine 382 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

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

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 64 and 75.

Details

Redox score ?
82
PDB code
7v2r
Structure name
active state complex i from q1-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
86
Minimum pKa ?
2
% buried
100
Peptide accession
F1SHD7
Residue number A
64
Residue number B
75
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

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

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 64 and 92.

Details

Redox score ?
76
PDB code
7vyn
Structure name
matrix arm of active state ci from q1-nadh dataset
Structure deposition date
2021-11-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
84
Minimum pKa ?
2
% buried
100
Peptide accession
F1SHD7
Residue number A
64
Residue number B
92
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 92 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 78 and 92.

Details

Redox score ?
70
PDB code
7w31
Structure name
deactive state ci from dq-nadh dataset, subclass 1
Structure deposition date
2021-11-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
8
% buried
100
Peptide accession
F1SHD7
Residue number A
78
Residue number B
92
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 78 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 92 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 64 and 78.

Details

Redox score ?
64
PDB code
7vyf
Structure name
matrix arm of active state ci from rotenone dataset
Structure deposition date
2021-11-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
2
% buried
100
Peptide accession
F1SHD7
Residue number A
64
Residue number B
78
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 78 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 179 and 226.

Details

Redox score ?
61
PDB code
7v33
Structure name
active state complex i from rotenone-nadh dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
82
Minimum pKa ?
7
% buried
100
Peptide accession
F1SHD7
Residue number A
179
Residue number B
226
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 179 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 226 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 75 and 78.

Details

Redox score ?
60
PDB code
7v31
Structure name
active state complex i from rotenone dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
87
Minimum pKa ?
6
% buried
100
Peptide accession
F1SHD7
Residue number A
75
Residue number B
78
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

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

Cysteine 78 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 176 and 226. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
7vyh
Structure name
matrix arm of deactive state ci from rotenone dataset
Structure deposition date
2021-11-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
8
% buried
100
Peptide accession
F1SHD7
Residue number A
176
Residue number B
226
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 176 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 226 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 64 and 179. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7w2u
Structure name
active state ci from dq-nadh dataset, subclass 2
Structure deposition date
2021-11-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
5
% buried
100
Peptide accession
F1SHD7
Residue number A
64
Residue number B
179
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 179 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 182 and 226. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7w0h
Structure name
deactive state ci from q10 dataset, subclass 2
Structure deposition date
2021-11-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
8
% buried
100
Peptide accession
F1SHD7
Residue number A
182
Residue number B
226
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 182 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 226 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 131 and 137. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7w2y
Structure name
active state ci from dq-nadh dataset, subclass 3
Structure deposition date
2021-11-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
84
Minimum pKa ?
10
% buried
100
Peptide accession
F1SHD7
Residue number A
131
Residue number B
137
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 131 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 137 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 128 and 131. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7w4m
Structure name
deactive state ci from q1-nadh dataset, subclass 4
Structure deposition date
2021-11-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
10
% buried
100
Peptide accession
F1SHD7
Residue number A
128
Residue number B
131
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

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

Cysteine 131 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 176 and 179. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7w35
Structure name
deactive state ci from dq-nadh dataset, subclass 3
Structure deposition date
2021-11-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
100
Peptide accession
F1SHD7
Residue number A
176
Residue number B
179
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 176 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 179 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 179 and 182. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7vyn
Structure name
matrix arm of active state ci from q1-nadh dataset
Structure deposition date
2021-11-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
84
Minimum pKa ?
11
% buried
100
Peptide accession
F1SHD7
Residue number A
179
Residue number B
182
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 179 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 182 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 75 and 179. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7v31
Structure name
active state complex i from rotenone dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
6
% buried
100
Peptide accession
F1SHD7
Residue number A
75
Residue number B
179
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

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

Cysteine 179 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 176 and 182. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7w4j
Structure name
deactive state ci from q1-nadh dataset, subclass 1
Structure deposition date
2021-11-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
100
Peptide accession
F1SHD7
Residue number A
176
Residue number B
182
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 176 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 182 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 137 and 226. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7w00
Structure name
deactive state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
8
% buried
100
Peptide accession
F1SHD7
Residue number A
137
Residue number B
226
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 137 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 226 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 128 and 137. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7w4q
Structure name
deactive state ci from q1-nadh dataset, subclass 6
Structure deposition date
2021-11-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
100
Peptide accession
F1SHD7
Residue number A
128
Residue number B
137
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

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

Cysteine 137 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 131 and 226. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7w4d
Structure name
active state ci from q1-nadh dataset, subclass 2
Structure deposition date
2021-11-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
100
Peptide accession
F1SHD7
Residue number A
131
Residue number B
226
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 131 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 226 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 367 and 554. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7v2k
Structure name
deactive state complex i from dq-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
76
Peptide accession
F1SHD7
Residue number A
367
Residue number B
554
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 367 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 554 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 53 and 78. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7v2h
Structure name
active state complex i from dq-nadh dataset
Structure deposition date
2021-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
8
% buried
96
Peptide accession
F1SHD7
Residue number A
53
Residue number B
78
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

Cysteine 53 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Cysteine 78 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

A redox-regulated disulphide may form within NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial between cysteines 75 and 92. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7w4j
Structure name
deactive state ci from q1-nadh dataset, subclass 1
Structure deposition date
2021-11-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
17
% buried
100
Peptide accession
F1SHD7
Residue number A
75
Residue number B
92
Peptide name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

Ligandability

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

Cysteine 92 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial

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