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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 222
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 177
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 222
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 177
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 173
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 137
Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 222
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 173
Cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 137
Cysteine 286 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 222
More...
Intramolecular
Cysteine 132 and cysteine 137
Cysteine 132 and cysteine 173
Cysteine 173 and cysteine 177
Cysteine 132 and cysteine 177
Cysteine 137 and cysteine 173
Cysteine 137 and cysteine 177
Cysteine 177 and cysteine 222
A redox-regulated disulphide may form between cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 222 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 193 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
91
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
W5PUX0
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
222

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 222 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 177 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 148 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
6zkn
Structure name
complex i inhibited by rotenone, open3
Structure deposition date
2020-06-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
102
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
W5PUX0
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
177

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 177 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 222 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 193 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
7zeb
Structure name
complex i from ovis aries at ph9, closed state
Structure deposition date
2022-03-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
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
A0A835ZPN7
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
222

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 222 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 177 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 148 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
7zdp
Structure name
complex i from ovis aries at ph9, open state
Structure deposition date
2022-03-29
Thiol separation (Å)
6
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
A0A835ZPN7
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
177

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 177 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 173 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 144 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
7zdj
Structure name
complex i from ovis aries at ph5
Structure deposition date
2022-03-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
91
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
A0A835ZPN7
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
173

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 173 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 137 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 108 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7zeb
Structure name
complex i from ovis aries at ph9, closed state
Structure deposition date
2022-03-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
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
A0A835ZPN7
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
137

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 137 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 222 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (266 and 193 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
7zdj
Structure name
complex i from ovis aries at ph5
Structure deposition date
2022-03-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
96
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
A0A835ZPN7
Peptide B accession
W5NRY1
Peptide A residue number
286
Peptide B residue number
222

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 222 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 173 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 144 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
6zkr
Structure name
native complex i, open3
Structure deposition date
2020-06-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
94
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
W5PUX0
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
173

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 173 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 137 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (105 and 108 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6zkk
Structure name
complex i inhibited by rotenone, closed
Structure deposition date
2020-06-30
Thiol separation (Å)
10
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
W5PUX0
Peptide B accession
W5NRY1
Peptide A residue number
125
Peptide B residue number
137

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 137 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 222 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (266 and 193 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6zkk
Structure name
complex i inhibited by rotenone, closed
Structure deposition date
2020-06-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
97
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
W5PUX0
Peptide B accession
W5NRY1
Peptide A residue number
286
Peptide B residue number
222

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 222 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 132 and 137 (103 and 108 respectively in this structure).

Details

Redox score ?
71
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
88
Minimum pKa ?
7
% buried
100
Peptide accession
W5NRY1
Residue number A
132
Residue number B
137
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 132 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 137 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 132 and 173 (103 and 144 respectively in this structure).

Details

Redox score ?
66
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
84
Minimum pKa ?
7
% buried
100
Peptide accession
W5NRY1
Residue number A
132
Residue number B
173
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 132 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 173 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 173 and 177 (144 and 148 respectively in this structure).

Details

Redox score ?
65
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
92
Minimum pKa ?
10
% buried
100
Peptide accession
W5NRY1
Residue number A
173
Residue number B
177
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 173 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 177 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 132 and 177 (103 and 148 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
95
Minimum pKa ?
7
% buried
100
Peptide accession
W5NRY1
Residue number A
132
Residue number B
177
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 132 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 177 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 137 and 173 (108 and 144 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
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
10
% buried
100
Peptide accession
W5NRY1
Residue number A
137
Residue number B
173
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 137 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 173 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 137 and 177 (108 and 148 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
98
Minimum pKa ?
18
% buried
100
Peptide accession
W5NRY1
Residue number A
137
Residue number B
177
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 137 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 177 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 177 and 222 (148 and 193 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
5lnk
Structure name
entire ovine respiratory complex i
Structure deposition date
2016-08-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
95
Minimum pKa ?
15
% buried
100
Peptide accession
W5NRY1
Residue number A
177
Residue number B
222
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial

Ligandability

Cysteine 177 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 222 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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