ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Intramolecular
Cysteine 86 and cysteine 111
Cysteine 111 and cysteine 114
Cysteine 86 and cysteine 114
A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial between cysteines 86 and 111.

Details

Redox score ?
92
PDB code
7w00
Structure name
deactive state ci from q10 dataset, subclass 1
Structure deposition date
2021-11-17
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
1
% buried
86
Peptide accession
F1S031
Residue number A
86
Residue number B
111
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Ligandability

Cysteine 86 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Cysteine 111 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial between cysteines 111 and 114.

Details

Redox score ?
77
PDB code
7v32
Structure name
deactive state complex i from rotenone dataset
Structure deposition date
2021-08-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
77
Minimum pKa ?
1
% buried
88
Peptide accession
F1S031
Residue number A
111
Residue number B
114
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Ligandability

Cysteine 111 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Cysteine 114 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

A redox-regulated disulphide may form within NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial between cysteines 86 and 114.

Details

Redox score ?
60
PDB code
7w32
Structure name
deactive state ci from dq-nadh dataset, subclass 2
Structure deposition date
2021-11-24
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
72
Peptide accession
F1S031
Residue number A
86
Residue number B
114
Peptide name
NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Ligandability

Cysteine 86 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Cysteine 114 of NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

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