ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

3-ketoacyl-CoA thiolase, peroxisomal

Intermolecular
Cysteine 87 and cysteine 87 L
Intramolecular
Cysteine 123 and cysteine 408 L
Cysteine 355 and cysteine 408
Cysteine 87 and cysteine 148 L
Cysteine 148 and cysteine 381 L
A redox-regulated disulphide may form between two units of 3-ketoacyl-CoA thiolase, peroxisomal at cysteines 87 and 87. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
2iik
Structure name
crystal structure of human peroxisomal acetyl-coa acyl transferase 1 (acaa1)
Structure deposition date
2006-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
104
Minimum pKa ?
12
% buried
100
Peptide A name
3-ketoacyl-CoA thiolase, peroxisomal
Peptide B name
3-ketoacyl-CoA thiolase, peroxisomal
Peptide A accession
P09110
Peptide B accession
P09110
Peptide A residue number
87
Peptide B residue number
87

Ligandability

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, peroxisomal between cysteines 123 and 408 (123 and 409 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
2iik
Structure name
crystal structure of human peroxisomal acetyl-coa acyl transferase 1 (acaa1)
Structure deposition date
2006-09-28
Thiol separation (Å)
6
Half-sphere exposure sum ?
103
Minimum pKa ?
11
% buried
100
Peptide accession
P09110
Residue number A
123
Residue number B
408
Peptide name
3-ketoacyl-CoA thiolase, peroxisomal

Ligandability

Cysteine 123 of 3-ketoacyl-CoA thiolase, peroxisomal

Cysteine 408 of 3-ketoacyl-CoA thiolase, peroxisomal

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, peroxisomal between cysteines 355 and 408 (356 and 409 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2iik
Structure name
crystal structure of human peroxisomal acetyl-coa acyl transferase 1 (acaa1)
Structure deposition date
2006-09-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
94
Minimum pKa ?
12
% buried
100
Peptide accession
P09110
Residue number A
355
Residue number B
408
Peptide name
3-ketoacyl-CoA thiolase, peroxisomal

Ligandability

Cysteine 355 of 3-ketoacyl-CoA thiolase, peroxisomal

Cysteine 408 of 3-ketoacyl-CoA thiolase, peroxisomal

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, peroxisomal between cysteines 87 and 148. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
2iik
Structure name
crystal structure of human peroxisomal acetyl-coa acyl transferase 1 (acaa1)
Structure deposition date
2006-09-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
114
Minimum pKa ?
12
% buried
100
Peptide accession
P09110
Residue number A
87
Residue number B
148
Peptide name
3-ketoacyl-CoA thiolase, peroxisomal

Ligandability

Cysteine 87 of 3-ketoacyl-CoA thiolase, peroxisomal

Cysteine 148 of 3-ketoacyl-CoA thiolase, peroxisomal

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, peroxisomal between cysteines 148 and 381 (148 and 382 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
2iik
Structure name
crystal structure of human peroxisomal acetyl-coa acyl transferase 1 (acaa1)
Structure deposition date
2006-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
117
Minimum pKa ?
12
% buried
100
Peptide accession
P09110
Residue number A
148
Residue number B
381
Peptide name
3-ketoacyl-CoA thiolase, peroxisomal

Ligandability

Cysteine 148 of 3-ketoacyl-CoA thiolase, peroxisomal

Cysteine 381 of 3-ketoacyl-CoA thiolase, peroxisomal

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