ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Catechol O-methyltransferase domain-containing protein 1

Intramolecular
Cysteine 191 and cysteine 231
Cysteine 133 and cysteine 198
A redox-regulated disulphide may form within Catechol O-methyltransferase domain-containing protein 1 between cysteines 191 and 231.

Details

Redox score ?
60
PDB code
2avd
Structure name
crystal structure of human catechol-o-methyltransferase domain containing 1
Structure deposition date
2005-08-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
48
Peptide accession
Q86VU5
Residue number A
191
Residue number B
231
Peptide name
Catechol O-methyltransferase domain-containing protein 1

Ligandability

Cysteine 191 of Catechol O-methyltransferase domain-containing protein 1

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 231 of Catechol O-methyltransferase domain-containing protein 1

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 Catechol O-methyltransferase domain-containing protein 1 between cysteines 133 and 198. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
2avd
Structure name
crystal structure of human catechol-o-methyltransferase domain containing 1
Structure deposition date
2005-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
98
Peptide accession
Q86VU5
Residue number A
133
Residue number B
198
Peptide name
Catechol O-methyltransferase domain-containing protein 1

Ligandability

Cysteine 133 of Catechol O-methyltransferase domain-containing protein 1

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 198 of Catechol O-methyltransferase domain-containing protein 1

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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