ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

3-ketoacyl-CoA thiolase, mitochondrial

Intermolecular
Cysteine 128 and cysteine 128 L
Intramolecular
Cysteine 103 and cysteine 107 L
Cysteine 92 and cysteine 382 L
Cysteine 287 and cysteine 382 L
Cysteine 103 and cysteine 116 L
A redox-regulated disulphide may form between two units of 3-ketoacyl-CoA thiolase, mitochondrial at cysteines 128 and 128.

Details

Redox score ?
70
PDB code
4c2k
Structure name
crystal structure of human mitochondrial 3-ketoacyl-coa thiolase
Structure deposition date
2013-08-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
7
% buried
100
Peptide A name
3-ketoacyl-CoA thiolase, mitochondrial
Peptide B name
3-ketoacyl-CoA thiolase, mitochondrial
Peptide A accession
P42765
Peptide B accession
P42765
Peptide A residue number
128
Peptide B residue number
128

Ligandability

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, mitochondrial between cysteines 103 and 107. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4c2k
Structure name
crystal structure of human mitochondrial 3-ketoacyl-coa thiolase
Structure deposition date
2013-08-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
90
Peptide accession
P42765
Residue number A
103
Residue number B
107
Peptide name
3-ketoacyl-CoA thiolase, mitochondrial

Ligandability

Cysteine 103 of 3-ketoacyl-CoA thiolase, mitochondrial

Cysteine 107 of 3-ketoacyl-CoA thiolase, mitochondrial

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, mitochondrial between cysteines 92 and 382. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4c2k
Structure name
crystal structure of human mitochondrial 3-ketoacyl-coa thiolase
Structure deposition date
2013-08-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
102
Minimum pKa ?
11
% buried
100
Peptide accession
P42765
Residue number A
92
Residue number B
382
Peptide name
3-ketoacyl-CoA thiolase, mitochondrial

Ligandability

Cysteine 92 of 3-ketoacyl-CoA thiolase, mitochondrial

Cysteine 382 of 3-ketoacyl-CoA thiolase, mitochondrial

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, mitochondrial between cysteines 287 and 382. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4c2k
Structure name
crystal structure of human mitochondrial 3-ketoacyl-coa thiolase
Structure deposition date
2013-08-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
96
Peptide accession
P42765
Residue number A
287
Residue number B
382
Peptide name
3-ketoacyl-CoA thiolase, mitochondrial

Ligandability

Cysteine 287 of 3-ketoacyl-CoA thiolase, mitochondrial

Cysteine 382 of 3-ketoacyl-CoA thiolase, mitochondrial

A redox-regulated disulphide may form within 3-ketoacyl-CoA thiolase, mitochondrial between cysteines 103 and 116. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
4c2k
Structure name
crystal structure of human mitochondrial 3-ketoacyl-coa thiolase
Structure deposition date
2013-08-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
107
Minimum pKa ?
13
% buried
100
Peptide accession
P42765
Residue number A
103
Residue number B
116
Peptide name
3-ketoacyl-CoA thiolase, mitochondrial

Ligandability

Cysteine 103 of 3-ketoacyl-CoA thiolase, mitochondrial

Cysteine 116 of 3-ketoacyl-CoA thiolase, mitochondrial

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