ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome P450 1A1

Intramolecular
Cysteine 502 and cysteine 503
Cysteine 199 and cysteine 202
A redox-regulated disulphide may form within Cytochrome P450 1A1 between cysteines 502 and 503. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6udl
Structure name
structure of human cytochrome p450 1a1 with duocarmycin prodrug (s) ict-2700
Structure deposition date
2019-09-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
44
Peptide accession
P04798
Residue number A
502
Residue number B
503
Peptide name
Cytochrome P450 1A1

Ligandability

Cysteine 502 of Cytochrome P450 1A1

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 503 of Cytochrome P450 1A1

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 1A1 between cysteines 199 and 202. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6dwn
Structure name
structure of human cytochrome p450 1a1 with erlotinib
Structure deposition date
2018-06-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
84
Peptide accession
P04798
Residue number A
199
Residue number B
202
Peptide name
Cytochrome P450 1A1

Ligandability

Cysteine 199 of Cytochrome P450 1A1

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 202 of Cytochrome P450 1A1

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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