ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Carnitine O-acetyltransferase

Intramolecular
Cysteine 337 and cysteine 562
Cysteine 562 and cysteine 577
A redox-regulated disulphide may form within Carnitine O-acetyltransferase between cysteines 337 and 562. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
2h3w
Structure name
crystal structure of the s554a/m564g mutant of murine carnitine acetyltransferase in complex with hexanoylcarnitine and coa
Structure deposition date
2006-05-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q3V1Y3
Residue number A
337
Residue number B
562
Peptide name
Carnitine O-acetyltransferase

Ligandability

Cysteine 337 of Carnitine O-acetyltransferase

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 562 of Carnitine O-acetyltransferase

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 Carnitine O-acetyltransferase between cysteines 562 and 577 (541 and 556 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
1s5o
Structure name
structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase
Structure deposition date
2004-01-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
97
Peptide accession
P43155
Residue number A
562
Residue number B
577
Peptide name
Carnitine O-acetyltransferase

Ligandability

Cysteine 562 of Carnitine O-acetyltransferase

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 577 of Carnitine O-acetyltransferase

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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