ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Intramolecular
Cysteine 102 and cysteine 159
Cysteine 92 and cysteine 159
Cysteine 159 and cysteine 182
Cysteine 92 and cysteine 102
Cysteine 171 and cysteine 187 L
Cysteine 171 and cysteine 182
A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 102 and 159 (76 and 133 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
88
Peptide accession
Q13011
Residue number A
102
Residue number B
159
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 102 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 159 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 92 and 159 (66 and 133 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
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
95
Peptide accession
Q13011
Residue number A
92
Residue number B
159
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 92 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 159 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 159 and 182 (133 and 156 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
10
% buried
98
Peptide accession
Q13011
Residue number A
159
Residue number B
182
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 159 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 182 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 92 and 102 (66 and 76 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
90
Peptide accession
Q13011
Residue number A
92
Residue number B
102
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 92 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 102 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 171 and 187 (145 and 161 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
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
89
Peptide accession
Q13011
Residue number A
171
Residue number B
187
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 171 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 187 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

A redox-regulated disulphide may form within Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial between cysteines 171 and 182 (145 and 156 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
2vre
Structure name
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
Structure deposition date
2008-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q13011
Residue number A
171
Residue number B
182
Peptide name
Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Ligandability

Cysteine 171 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

Cysteine 182 of Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial

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