ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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P2Y purinoceptor 12

Intramolecular
Cysteine 17 and cysteine 270
Cysteine 97 and cysteine 175
Cysteine 248 and cysteine 292
A redox-regulated disulphide may form within P2Y purinoceptor 12 between cysteines 17 and 270.

Details

Redox score ?
87
PDB code
4pxz
Structure name
crystal structure of p2y12 receptor in complex with 2mesadp
Structure deposition date
2014-03-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
37
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H244
Residue number A
17
Residue number B
270
Peptide name
P2Y purinoceptor 12

Ligandability

Cysteine 17 of P2Y purinoceptor 12

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 270 of P2Y purinoceptor 12

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 P2Y purinoceptor 12 between cysteines 97 and 175.

Details

Redox score ?
82
PDB code
4py0
Structure name
crystal structure of p2y12 receptor in complex with 2mesatp
Structure deposition date
2014-03-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H244
Residue number A
97
Residue number B
175
Peptide name
P2Y purinoceptor 12

Ligandability

Cysteine 97 of P2Y purinoceptor 12

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 175 of P2Y purinoceptor 12

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 P2Y purinoceptor 12 between cysteines 248 and 292. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
4ntj
Structure name
structure of the human p2y12 receptor in complex with an antithrombotic drug
Structure deposition date
2013-12-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
85
Peptide accession
Q9H244
Residue number A
248
Residue number B
292
Peptide name
P2Y purinoceptor 12

Ligandability

Cysteine 248 of P2Y purinoceptor 12

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 292 of P2Y purinoceptor 12

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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