ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Proteinase-activated receptor 2

Intramolecular
Cysteine 148 and cysteine 226
Cysteine 299 and cysteine 338
Cysteine 161 and cysteine 168
A redox-regulated disulphide may form within Proteinase-activated receptor 2 between cysteines 148 and 226.

Details

Redox score ?
83
PDB code
5ndd
Structure name
crystal structure of a thermostabilised human protease-activated receptor-2 (par2) in complex with az8838 at 2
Structure deposition date
2017-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55085
Residue number A
148
Residue number B
226
Peptide name
Proteinase-activated receptor 2

Ligandability

Cysteine 148 of Proteinase-activated receptor 2

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 226 of Proteinase-activated receptor 2

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 Proteinase-activated receptor 2 between cysteines 299 and 338. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5nj6
Structure name
crystal structure of a thermostabilised human protease-activated receptor-2 (par2) in ternary complex with fab3949 and az7188 at 4
Structure deposition date
2017-03-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
74
Peptide accession
P55085
Residue number A
299
Residue number B
338
Peptide name
Proteinase-activated receptor 2

Ligandability

Cysteine 299 of Proteinase-activated receptor 2

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 338 of Proteinase-activated receptor 2

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 Proteinase-activated receptor 2 between cysteines 161 and 168. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
5ndd
Structure name
crystal structure of a thermostabilised human protease-activated receptor-2 (par2) in complex with az8838 at 2
Structure deposition date
2017-03-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
84
Peptide accession
P55085
Residue number A
161
Residue number B
168
Peptide name
Proteinase-activated receptor 2

Ligandability

Cysteine 161 of Proteinase-activated receptor 2

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 168 of Proteinase-activated receptor 2

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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