ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Intramolecular
Cysteine 456 and cysteine 504
Cysteine 456 and cysteine 465
A redox-regulated disulphide may form within Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial between cysteines 456 and 504 (417 and 465 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
3oxo
Structure name
succinyl-coa:3-ketoacid coa transferase from pig heart covalently bound to coa
Structure deposition date
2010-09-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
53
Minimum pKa ?
12
% buried
70
Peptide accession
Q29551
Residue number A
456
Residue number B
504
Peptide name
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Ligandability

Cysteine 456 of Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 504 of Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial between cysteines 456 and 465 (417 and 426 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
3oxo
Structure name
succinyl-coa:3-ketoacid coa transferase from pig heart covalently bound to coa
Structure deposition date
2010-09-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
84
Peptide accession
Q29551
Residue number A
456
Residue number B
465
Peptide name
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Ligandability

Cysteine 456 of Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 465 of Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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