ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Isovaleryl-CoA dehydrogenase, mitochondrial

Intermolecular
Cysteine 370 and cysteine 370
Cysteine 339 and cysteine 339
Intramolecular
Cysteine 350 and cysteine 355
Cysteine 355 and cysteine 360
Cysteine 339 and cysteine 370
Cysteine 350 and cysteine 360
A redox-regulated disulphide may form between two units of Isovaleryl-CoA dehydrogenase, mitochondrial at cysteines 370 and 370 (338 and 338 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
100
Peptide A name
Isovaleryl-CoA dehydrogenase, mitochondrial
Peptide B name
Isovaleryl-CoA dehydrogenase, mitochondrial
Peptide A accession
P26440
Peptide B accession
P26440
Peptide A residue number
370
Peptide B residue number
370

Ligandability

A redox-regulated disulphide may form between two units of Isovaleryl-CoA dehydrogenase, mitochondrial at cysteines 339 and 339 (307 and 307 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
14
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
93
Minimum pKa ?
18
% buried
100
Peptide A name
Isovaleryl-CoA dehydrogenase, mitochondrial
Peptide B name
Isovaleryl-CoA dehydrogenase, mitochondrial
Peptide A accession
P26440
Peptide B accession
P26440
Peptide A residue number
339
Peptide B residue number
339

Ligandability

A redox-regulated disulphide may form within Isovaleryl-CoA dehydrogenase, mitochondrial between cysteines 350 and 355 (318 and 323 respectively in this structure).

Details

Redox score ?
85
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
62
Peptide accession
P26440
Residue number A
350
Residue number B
355
Peptide name
Isovaleryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 350 of Isovaleryl-CoA dehydrogenase, mitochondrial

Cysteine 355 of Isovaleryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isovaleryl-CoA dehydrogenase, mitochondrial between cysteines 355 and 360 (323 and 328 respectively in this structure).

Details

Redox score ?
81
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
4
% buried
81
Peptide accession
P26440
Residue number A
355
Residue number B
360
Peptide name
Isovaleryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 355 of Isovaleryl-CoA dehydrogenase, mitochondrial

Cysteine 360 of Isovaleryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isovaleryl-CoA dehydrogenase, mitochondrial between cysteines 339 and 370 (307 and 338 respectively in this structure).

Details

Redox score ?
70
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
8
% buried
100
Peptide accession
P26440
Residue number A
339
Residue number B
370
Peptide name
Isovaleryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 339 of Isovaleryl-CoA dehydrogenase, mitochondrial

Cysteine 370 of Isovaleryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isovaleryl-CoA dehydrogenase, mitochondrial between cysteines 350 and 360 (318 and 328 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
1ivh
Structure name
structure of human isovaleryl-coa dehydrogenase at 2
Structure deposition date
1997-05-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
13
% buried
nan
Peptide accession
P26440
Residue number A
350
Residue number B
360
Peptide name
Isovaleryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 350 of Isovaleryl-CoA dehydrogenase, mitochondrial

Cysteine 360 of Isovaleryl-CoA dehydrogenase, mitochondrial

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