ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome P450

Intramolecular
Cysteine 152 and cysteine 173
Cysteine 173 and cysteine 180
A redox-regulated disulphide may form within Cytochrome P450 between cysteines 152 and 173. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5e58
Structure name
crystal structure of cytochrome p450 2b35 from desert woodrat neotoma lepida in complex with 4-(4-chlorophenyl)imidazole
Structure deposition date
2015-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
56
Peptide accession
J9JD66
Residue number A
152
Residue number B
173
Peptide name
Cytochrome P450

Ligandability

Cysteine 152 of Cytochrome P450

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 173 of Cytochrome P450

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 Cytochrome P450 between cysteines 173 and 180. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
5e58
Structure name
crystal structure of cytochrome p450 2b35 from desert woodrat neotoma lepida in complex with 4-(4-chlorophenyl)imidazole
Structure deposition date
2015-10-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
13
% buried
91
Peptide accession
J9JD66
Residue number A
173
Residue number B
180
Peptide name
Cytochrome P450

Ligandability

Cysteine 173 of Cytochrome P450

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 180 of Cytochrome P450

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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