ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Isobutyryl-CoA dehydrogenase, mitochondrial

Intramolecular
Cysteine 146 and cysteine 150
Cysteine 362 and cysteine 366
Cysteine 129 and cysteine 159
Cysteine 205 and cysteine 217 L
Cysteine 129 and cysteine 217 L
Cysteine 159 and cysteine 217 L
Cysteine 116 and cysteine 283
A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 146 and 150 (124 and 128 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
73
Peptide accession
Q9UKU7
Residue number A
146
Residue number B
150
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 146 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 150 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 362 and 366 (340 and 344 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
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
96
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UKU7
Residue number A
362
Residue number B
366
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 362 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 366 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 129 and 159 (107 and 137 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UKU7
Residue number A
129
Residue number B
159
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 129 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 159 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 205 and 217 (183 and 195 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
98
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UKU7
Residue number A
205
Residue number B
217
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 205 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 217 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 129 and 217 (107 and 195 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
97
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UKU7
Residue number A
129
Residue number B
217
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 129 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 217 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 159 and 217 (137 and 195 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
93
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UKU7
Residue number A
159
Residue number B
217
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 159 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 217 of Isobutyryl-CoA dehydrogenase, mitochondrial

A redox-regulated disulphide may form within Isobutyryl-CoA dehydrogenase, mitochondrial between cysteines 116 and 283 (94 and 261 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
1rx0
Structure name
crystal structure of isobutyryl-coa dehydrogenase complexed with substrate/ligand
Structure deposition date
2003-12-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
105
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UKU7
Residue number A
116
Residue number B
283
Peptide name
Isobutyryl-CoA dehydrogenase, mitochondrial

Ligandability

Cysteine 116 of Isobutyryl-CoA dehydrogenase, mitochondrial

Cysteine 283 of Isobutyryl-CoA dehydrogenase, mitochondrial

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