ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome P450 21-hydroxylase

Intramolecular
Cysteine 170 and cysteine 174
Cysteine 170 and cysteine 194
Cysteine 174 and cysteine 194
A redox-regulated disulphide may form within Cytochrome P450 21-hydroxylase between cysteines 170 and 174.

Details

Redox score ?
67
PDB code
5vbu
Structure name
crystal structure of human cytochrome p450 21a2 hydroxyprogesterone complex
Structure deposition date
2017-03-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
86
Minimum pKa ?
9
% buried
100
Peptide accession
Q16874
Residue number A
170
Residue number B
174
Peptide name
Cytochrome P450 21-hydroxylase

Ligandability

Cysteine 170 of Cytochrome P450 21-hydroxylase

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 174 of Cytochrome P450 21-hydroxylase

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 21-hydroxylase between cysteines 170 and 194. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5vbu
Structure name
crystal structure of human cytochrome p450 21a2 hydroxyprogesterone complex
Structure deposition date
2017-03-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
9
% buried
83
Peptide accession
Q16874
Residue number A
170
Residue number B
194
Peptide name
Cytochrome P450 21-hydroxylase

Ligandability

Cysteine 170 of Cytochrome P450 21-hydroxylase

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 194 of Cytochrome P450 21-hydroxylase

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 21-hydroxylase between cysteines 174 and 194. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5vbu
Structure name
crystal structure of human cytochrome p450 21a2 hydroxyprogesterone complex
Structure deposition date
2017-03-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
84
Peptide accession
Q16874
Residue number A
174
Residue number B
194
Peptide name
Cytochrome P450 21-hydroxylase

Ligandability

Cysteine 174 of Cytochrome P450 21-hydroxylase

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 194 of Cytochrome P450 21-hydroxylase

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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