ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Isocitrate dehydrogenase [NADP], mitochondrial

Intramolecular
Cysteine 154 and cysteine 402
Cysteine 154 and cysteine 418 L
Cysteine 204 and cysteine 277 L
A redox-regulated disulphide may form within Isocitrate dehydrogenase [NADP], mitochondrial between cysteines 154 and 402. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6vfz
Structure name
crystal structure of human mitochondrial isocitrate dehydrogenase (idh2) r140q mutant homodimer in complex with nadph and ag-881 (vorasidenib) inhibitor
Structure deposition date
2020-01-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
87
Peptide accession
P48735
Residue number A
154
Residue number B
402
Peptide name
Isocitrate dehydrogenase [NADP], mitochondrial

Ligandability

Cysteine 154 of Isocitrate dehydrogenase [NADP], 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 402 of Isocitrate dehydrogenase [NADP], 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 [NADP], mitochondrial between cysteines 154 and 418. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5h3f
Structure name
crystal structure of mouse isocitrate dehydrogenases 2 complexed with isocitrate
Structure deposition date
2016-10-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
11
% buried
69
Peptide accession
P54071
Residue number A
154
Residue number B
418
Peptide name
Isocitrate dehydrogenase [NADP], mitochondrial

Ligandability

Cysteine 154 of Isocitrate dehydrogenase [NADP], 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 418 of Isocitrate dehydrogenase [NADP], 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.

A redox-regulated disulphide may form within Isocitrate dehydrogenase [NADP], mitochondrial between cysteines 204 and 277 (196 and 269 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
1lwd
Structure name
crystal structure of nadp-dependent isocitrate dehydrogenase from porcine heart mitochondria
Structure deposition date
2002-05-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
P33198
Residue number A
204
Residue number B
277
Peptide name
Isocitrate dehydrogenase [NADP], mitochondrial

Ligandability

Cysteine 204 of Isocitrate dehydrogenase [NADP], 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 277 of Isocitrate dehydrogenase [NADP], mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

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