ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome P450 4B1

Intramolecular
Cysteine 336 and cysteine 364
Cysteine 325 and cysteine 368
Cysteine 325 and cysteine 364
A redox-regulated disulphide may form within Cytochrome P450 4B1 between cysteines 336 and 364.

Details

Redox score ?
71
PDB code
6c94
Structure name
structure of cytochrome p450 4b1 (cyp4b1) complexed with the inhibitor het0016
Structure deposition date
2018-01-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
80
Minimum pKa ?
9
% buried
90
Peptide accession
P15128
Residue number A
336
Residue number B
364
Peptide name
Cytochrome P450 4B1

Ligandability

Cysteine 336 of Cytochrome P450 4B1

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 364 of Cytochrome P450 4B1

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 4B1 between cysteines 325 and 368.

Details

Redox score ?
62
PDB code
5t6q
Structure name
structure of cytochrome p450 4b1 (cyp4b1) complexed with octane: an n- alkane and fatty acid omega-hydroxylase with a covalently bound heme
Structure deposition date
2016-09-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
100
Peptide accession
P15128
Residue number A
325
Residue number B
368
Peptide name
Cytochrome P450 4B1

Ligandability

Cysteine 325 of Cytochrome P450 4B1

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 368 of Cytochrome P450 4B1

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 4B1 between cysteines 325 and 364. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
17
PDB code
5t6q
Structure name
structure of cytochrome p450 4b1 (cyp4b1) complexed with octane: an n- alkane and fatty acid omega-hydroxylase with a covalently bound heme
Structure deposition date
2016-09-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
18
% buried
94
Peptide accession
P15128
Residue number A
325
Residue number B
364
Peptide name
Cytochrome P450 4B1

Ligandability

Cysteine 325 of Cytochrome P450 4B1

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 364 of Cytochrome P450 4B1

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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