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NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Intermolecular
Cysteine 125 and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial L
Cysteine 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 L
Cysteine 179 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 L
Cysteine 382 and cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Cysteine 286 and cysteine 225 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Cysteine 382 and cysteine 75 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Cysteine 134 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 L
Cysteine 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 L
Intramolecular
Cysteine 379 and cysteine 382
Cysteine 382 and cysteine 385
More...
Cysteine 382 and cysteine 425
Cysteine 379 and cysteine 425
Cysteine 379 and cysteine 385
Cysteine 385 and cysteine 425
Cysteine 206 and cysteine 379
Cysteine 125 and cysteine 286 L
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 ?
50
PDB code
5xtd
Structure name
cryo-em structure of human respiratory complex i
Structure deposition date
2017-06-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
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
P49821
Peptide B accession
P19404
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.

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 176 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (144 and 105 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
7qso
Structure name
bovine complex i in lipid nanodisc, state 3 (slack)
Structure deposition date
2022-01-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
95
Minimum pKa ?
9
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide A accession
P04394
Peptide B accession
P25708
Peptide A residue number
176
Peptide B residue number
125

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 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.

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 179 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (148 and 105 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
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 ?
93
Minimum pKa ?
14
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide A accession
Q9D6J6
Peptide B accession
Q91YT0
Peptide A residue number
179
Peptide B residue number
125

Ligandability

Cysteine 179 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 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.

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 382 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial and cysteine 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (362 and 41 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
5o31
Structure name
mitochondrial complex i in the deactive state
Structure deposition date
2017-05-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
87
Minimum pKa ?
6
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial
Peptide A accession
P25708
Peptide B accession
P15690
Peptide A residue number
382
Peptide B residue number
64

Ligandability

Cysteine 382 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 64 of NADH-ubiquinone oxidoreductase 75 kDa subunit, 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 ?
36
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 ?
87
Minimum pKa ?
12
% buried
99
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide A accession
P49821
Peptide B accession
P19404
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 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 ?
33
PDB code
5xtd
Structure name
cryo-em structure of human respiratory complex i
Structure deposition date
2017-06-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
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
P49821
Peptide B accession
P28331
Peptide A residue number
382
Peptide B residue number
75

Ligandability

Cysteine 382 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 75 of NADH-ubiquinone oxidoreductase 75 kDa subunit, 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 134 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (103 and 105 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
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)
10
Half-sphere exposure sum ?
90
Minimum pKa ?
9
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide A accession
Q9D6J6
Peptide B accession
Q91YT0
Peptide A residue number
134
Peptide B residue number
125

Ligandability

Cysteine 134 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 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.

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 140 of NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial and cysteine 125 of NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (108 and 105 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
7qso
Structure name
bovine complex i in lipid nanodisc, state 3 (slack)
Structure deposition date
2022-01-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
93
Minimum pKa ?
13
% buried
100
Peptide A name
NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial
Peptide B name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Peptide A accession
P04394
Peptide B accession
P25708
Peptide A residue number
140
Peptide B residue number
125

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 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.

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 1, mitochondrial between cysteines 379 and 382 (359 and 362 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 ?
91
Minimum pKa ?
10
% buried
100
Peptide accession
Q91YT0
Residue number A
379
Residue number B
382
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 379 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 382 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 382 and 385 (362 and 365 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
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 ?
92
Minimum pKa ?
12
% buried
100
Peptide accession
Q91YT0
Residue number A
382
Residue number B
385
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 382 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 385 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 382 and 425 (362 and 405 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
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)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
100
Peptide accession
Q91YT0
Residue number A
382
Residue number B
425
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 382 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 425 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 379 and 425 (359 and 405 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
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 ?
12
% buried
100
Peptide accession
Q91YT0
Residue number A
379
Residue number B
425
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 379 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 425 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 379 and 385 (359 and 365 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
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 ?
95
Minimum pKa ?
12
% buried
100
Peptide accession
Q91YT0
Residue number A
379
Residue number B
385
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 379 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 385 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 385 and 425 (365 and 405 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
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 ?
85
Minimum pKa ?
14
% buried
100
Peptide accession
Q91YT0
Residue number A
385
Residue number B
425
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 385 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 425 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 206 and 379 (186 and 359 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide accession
Q91YT0
Residue number A
206
Residue number B
379
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

Ligandability

Cysteine 206 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 379 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.

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial between cysteines 125 and 286 (105 and 266 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
6g2j
Structure name
mouse mitochondrial complex i in the active state
Structure deposition date
2018-03-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
93
Minimum pKa ?
12
% buried
94
Peptide accession
Q91YT0
Residue number A
125
Residue number B
286
Peptide name
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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.

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