ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial

Intermolecular
Cysteine 236 of Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial and cysteine 254
Cysteine 263 of Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial and cysteine 254
Intramolecular
Cysteine 253 and cysteine 254
Cysteine 232 and cysteine 233
A redox-regulated disulphide may form between cysteine 236 of Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial and cysteine 254 of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial (209 and 220 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
6kde
Structure name
crystal structure of the alpha beta heterodimer of human idh3 in complex with ca(2+)
Structure deposition date
2019-07-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide A name
Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial
Peptide B name
Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial
Peptide A accession
P50213
Peptide B accession
O43837
Peptide A residue number
236
Peptide B residue number
254

Ligandability

Cysteine 236 of Isocitrate dehydrogenase [NAD] subunit alpha, 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 254 of Isocitrate dehydrogenase [NAD] subunit beta, 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 263 of Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial and cysteine 254 of Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial (236 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
19
PDB code
8grb
Structure name
crystal structure of a constitutively active mutant of the alpha beta heterodimer of human idh3
Structure deposition date
2022-09-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
94
Minimum pKa ?
14
% buried
100
Peptide A name
Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial
Peptide B name
Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial
Peptide A accession
P50213
Peptide B accession
O43837-2
Peptide A residue number
263
Peptide B residue number
254

Ligandability

Cysteine 263 of Isocitrate dehydrogenase [NAD] subunit alpha, 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 254 of Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, 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 Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial between cysteines 253 and 254 (219 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
8gru
Structure name
crystal structure of a constitutively active mutant of the alpha beta heterodimer of human idh3 in complex with ict, nad and ca
Structure deposition date
2022-09-02
Thiol separation (Å)
5
Half-sphere exposure sum ?
85
Minimum pKa ?
9
% buried
100
Peptide accession
O43837-2
Residue number A
253
Residue number B
254
Peptide name
Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial

Ligandability

Cysteine 253 of Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, 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 254 of Isoform A of Isocitrate dehydrogenase [NAD] subunit beta, 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 beta, mitochondrial between cysteines 232 and 233 (198 and 199 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6kdf
Structure name
crystal structure of the alpha beta heterodimer of human idh3 in apo form
Structure deposition date
2019-07-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
76
Peptide accession
O43837
Residue number A
232
Residue number B
233
Peptide name
Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial

Ligandability

Cysteine 232 of Isocitrate dehydrogenase [NAD] subunit beta, 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 233 of Isocitrate dehydrogenase [NAD] subunit beta, 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.

If this tool was useful for finding a disulphide, please cite: