ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Intramolecular
Cysteine 316 and cysteine 349
Cysteine 228 and cysteine 235 L
Cysteine 361 and cysteine 382
A redox-regulated disulphide may form within 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial between cysteines 316 and 349 (266 and 299 respectively in this structure).

Details

Redox score ?
74
PDB code
2bfc
Structure name
reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Structure deposition date
2004-12-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
42
Peptide accession
P21953
Residue number A
316
Residue number B
349
Peptide name
2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Ligandability

Cysteine 316 of 2-oxoisovalerate dehydrogenase 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 349 of 2-oxoisovalerate dehydrogenase 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 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial between cysteines 228 and 235 (178 and 185 respectively in this structure).

Details

Redox score ?
64
PDB code
2bff
Structure name
reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Structure deposition date
2004-12-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
95
Minimum pKa ?
8
% buried
100
Peptide accession
P21953
Residue number A
228
Residue number B
235
Peptide name
2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Ligandability

Cysteine 228 of 2-oxoisovalerate dehydrogenase 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 235 of 2-oxoisovalerate dehydrogenase 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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial between cysteines 361 and 382 (311 and 332 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1x7x
Structure name
crystal structure of the human mitochondrial branched-chain alpha- ketoacid dehydrogenase
Structure deposition date
2004-08-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
84
Peptide accession
P21953
Residue number A
361
Residue number B
382
Peptide name
2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Ligandability

Cysteine 361 of 2-oxoisovalerate dehydrogenase 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 382 of 2-oxoisovalerate dehydrogenase 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.

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