ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Carnitine O-palmitoyltransferase 2, mitochondrial

Intramolecular
Cysteine 639 and cysteine 643
Cysteine 324 and cysteine 326
Cysteine 512 and cysteine 535 L
Cysteine 512 and cysteine 643 L
A redox-regulated disulphide may form within Carnitine O-palmitoyltransferase 2, mitochondrial between cysteines 639 and 643.

Details

Redox score ?
69
PDB code
4eyw
Structure name
crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(r)-2-(3,4-dihydro-1h-isoquinoline-2-carbonyl)-piperidin-1- yl]-2-phenoxy-ethanone
Structure deposition date
2012-05-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
73
Peptide accession
P18886
Residue number A
639
Residue number B
643
Peptide name
Carnitine O-palmitoyltransferase 2, mitochondrial

Ligandability

Cysteine 639 of Carnitine O-palmitoyltransferase 2, 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 643 of Carnitine O-palmitoyltransferase 2, 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 Carnitine O-palmitoyltransferase 2, mitochondrial between cysteines 324 and 326.

Details

Redox score ?
67
PDB code
4eyw
Structure name
crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(r)-2-(3,4-dihydro-1h-isoquinoline-2-carbonyl)-piperidin-1- yl]-2-phenoxy-ethanone
Structure deposition date
2012-05-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
94
Minimum pKa ?
9
% buried
100
Peptide accession
P18886
Residue number A
324
Residue number B
326
Peptide name
Carnitine O-palmitoyltransferase 2, mitochondrial

Ligandability

Cysteine 324 of Carnitine O-palmitoyltransferase 2, 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 326 of Carnitine O-palmitoyltransferase 2, 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 Carnitine O-palmitoyltransferase 2, mitochondrial between cysteines 512 and 535.

Details

Redox score ?
65
PDB code
2rcu
Structure name
crystal structure of rat carnitine palmitoyltransferase 2 in complex with r-3-(hexadecanoylamino)-4-(trimethylazaniumyl)butanoate
Structure deposition date
2007-09-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
78
Minimum pKa ?
8
% buried
96
Peptide accession
P18886
Residue number A
512
Residue number B
535
Peptide name
Carnitine O-palmitoyltransferase 2, mitochondrial

Ligandability

Cysteine 512 of Carnitine O-palmitoyltransferase 2, 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 535 of Carnitine O-palmitoyltransferase 2, 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 Carnitine O-palmitoyltransferase 2, mitochondrial between cysteines 512 and 643. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
2h4t
Structure name
crystal structure of rat carnitine palmitoyltransferase ii
Structure deposition date
2006-05-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
92
Peptide accession
P18886
Residue number A
512
Residue number B
643
Peptide name
Carnitine O-palmitoyltransferase 2, mitochondrial

Ligandability

Cysteine 512 of Carnitine O-palmitoyltransferase 2, 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 643 of Carnitine O-palmitoyltransferase 2, 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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