ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial

Intramolecular
Cysteine 148 and cysteine 284
Cysteine 235 and cysteine 236 L
A redox-regulated disulphide may form within Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial between cysteines 148 and 284 (109 and 245 respectively in this structure).

Details

Redox score ?
60
PDB code
8gs5
Structure name
crystal structure of a constitutively active mutant of human idh3 holoenzyme in apo form
Structure deposition date
2022-09-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
94
Minimum pKa ?
9
% buried
100
Peptide accession
P51553
Residue number A
148
Residue number B
284
Peptide name
Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial

Ligandability

Cysteine 148 of Isocitrate dehydrogenase [NAD] subunit gamma, 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 284 of Isocitrate dehydrogenase [NAD] subunit gamma, 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 Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial between cysteines 235 and 236 (196 and 197 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
8grg
Structure name
crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human idh3
Structure deposition date
2022-09-01
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
76
Peptide accession
P51553
Residue number A
235
Residue number B
236
Peptide name
Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial

Ligandability

Cysteine 235 of Isocitrate dehydrogenase [NAD] subunit gamma, 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 236 of Isocitrate dehydrogenase [NAD] subunit gamma, 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.

Ligandable in the dataset of Kuljanin et al.

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