ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Cytochrome P450 2D6

Intermolecular
Cysteine 57 and cysteine 57
Intramolecular
Cysteine 159 and cysteine 161
A redox-regulated disulphide may form between two units of Cytochrome P450 2D6 at cysteines 57 and 57. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
4xry
Structure name
human cytochrome p450 2d6 bace1 inhibitor 5 complex
Structure deposition date
2015-01-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
46
Peptide A name
Cytochrome P450 2D6
Peptide B name
Cytochrome P450 2D6
Peptide A accession
P10635
Peptide B accession
P10635
Peptide A residue number
57
Peptide B residue number
57

Ligandability

A redox-regulated disulphide may form within Cytochrome P450 2D6 between cysteines 159 and 161. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5tft
Structure name
structure of cytochrome p450 2d6 (cyp2d6) bace1 inhibitor complex
Structure deposition date
2016-09-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
56
Peptide accession
P10635
Residue number A
159
Residue number B
161
Peptide name
Cytochrome P450 2D6

Ligandability

Cysteine 159 of Cytochrome P450 2D6

Cysteine 161 of Cytochrome P450 2D6

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