ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Intermolecular
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 180
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 176
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 180
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 140
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 176
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 135
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 140
Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225
More...
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 135
Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225
Intramolecular
Cysteine 135 and cysteine 140
Cysteine 176 and cysteine 180
Cysteine 135 and cysteine 176
Cysteine 135 and cysteine 180
Cysteine 140 and cysteine 176
Cysteine 140 and cysteine 180
A redox-regulated disulphide may form between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
5
Half-sphere exposure sum ?
97
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
180

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
94
Minimum pKa ?
8
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
176

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7w1p
Structure name
deactive state ci from q10-nadh dataset, subclass 2
Structure deposition date
2021-11-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
97
Minimum pKa ?
13
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
180

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
225

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7v2e
Structure name
active state complex i from q10-nadh dataset
Structure deposition date
2021-08-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
95
Minimum pKa ?
8
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
225

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7w4j
Structure name
deactive state ci from q1-nadh dataset, subclass 1
Structure deposition date
2021-11-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
8
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
140

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7w2l
Structure name
deactive state ci from rotenone-nadh dataset, subclass 2
Structure deposition date
2021-11-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
9
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
176

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7w0h
Structure name
deactive state ci from q10 dataset, subclass 2
Structure deposition date
2021-11-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
8
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
135

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
91
Minimum pKa ?
10
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
140

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
286
Peptide B residue number
225

Ligandability

Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7vxu
Structure name
matrix arm of deactive state ci from q10 dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
9
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
A0A4X1SZP7
Peptide B accession
A0A287BG40
Peptide A residue number
125
Peptide B residue number
135

Ligandability

Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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 between cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7w2l
Structure name
deactive state ci from rotenone-nadh dataset, subclass 2
Structure deposition date
2021-11-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
F1RVN1
Peptide B accession
A0A287BG40
Peptide A residue number
286
Peptide B residue number
225

Ligandability

Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, 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.

Cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 135 and 140.

Details

Redox score ?
75
PDB code
7w2y
Structure name
active state ci from dq-nadh dataset, subclass 3
Structure deposition date
2021-11-24
Thiol separation (Å)
3
Half-sphere exposure sum ?
87
Minimum pKa ?
7
% buried
100
Peptide accession
A0A287BG40
Residue number A
135
Residue number B
140
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 176 and 180.

Details

Redox score ?
67
PDB code
7vy8
Structure name
matrix arm of active state ci from q10-nadh dataset
Structure deposition date
2021-11-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
99
Minimum pKa ?
9
% buried
100
Peptide accession
A0A287BG40
Residue number A
176
Residue number B
180
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 135 and 176.

Details

Redox score ?
62
PDB code
7w20
Structure name
active state ci from rotenone-nadh dataset, subclass 3
Structure deposition date
2021-11-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
88
Minimum pKa ?
7
% buried
100
Peptide accession
A0A287BG40
Residue number A
135
Residue number B
176
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 135 and 180. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7vbn
Structure name
matrix arm of deactive state ci from dq-nadh dataset
Structure deposition date
2021-08-31
Thiol separation (Å)
7
Half-sphere exposure sum ?
93
Minimum pKa ?
7
% buried
100
Peptide accession
A0A287BG40
Residue number A
135
Residue number B
180
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 135 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 140 and 176. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7w1z
Structure name
active state ci from rotenone-nadh dataset, subclass 2
Structure deposition date
2021-11-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
10
% buried
100
Peptide accession
A0A287BG40
Residue number A
140
Residue number B
176
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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] flavoprotein 2, mitochondrial between cysteines 140 and 180. 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)
6
Half-sphere exposure sum ?
97
Minimum pKa ?
18
% buried
100
Peptide accession
A0A287BG40
Residue number A
140
Residue number B
180
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

Cysteine 180 of NADH dehydrogenase [ubiquinone] flavoprotein 2, 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.

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