ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Proteinase-activated receptor 1

Intramolecular
Cysteine 175 and cysteine 254
Cysteine 364 and cysteine 365
Cysteine 320 and cysteine 325
Cysteine 325 and cysteine 365
Cysteine 325 and cysteine 364
A redox-regulated disulphide may form within Proteinase-activated receptor 1 between cysteines 175 and 254.

Details

Redox score ?
83
PDB code
3vw7
Structure name
crystal structure of human protease-activated receptor 1 (par1) bound with antagonist vorapaxar at 2
Structure deposition date
2012-08-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P25116
Residue number A
175
Residue number B
254
Peptide name
Proteinase-activated receptor 1

Ligandability

Cysteine 175 of Proteinase-activated receptor 1

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 254 of Proteinase-activated receptor 1

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 1 between cysteines 364 and 365. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3vw7
Structure name
crystal structure of human protease-activated receptor 1 (par1) bound with antagonist vorapaxar at 2
Structure deposition date
2012-08-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
82
Peptide accession
P25116
Residue number A
364
Residue number B
365
Peptide name
Proteinase-activated receptor 1

Ligandability

Cysteine 364 of Proteinase-activated receptor 1

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 365 of Proteinase-activated receptor 1

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 1 between cysteines 320 and 325. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3vw7
Structure name
crystal structure of human protease-activated receptor 1 (par1) bound with antagonist vorapaxar at 2
Structure deposition date
2012-08-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
60
Peptide accession
P25116
Residue number A
320
Residue number B
325
Peptide name
Proteinase-activated receptor 1

Ligandability

Cysteine 320 of Proteinase-activated receptor 1

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 325 of Proteinase-activated receptor 1

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 1 between cysteines 325 and 365. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
3vw7
Structure name
crystal structure of human protease-activated receptor 1 (par1) bound with antagonist vorapaxar at 2
Structure deposition date
2012-08-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
12
% buried
76
Peptide accession
P25116
Residue number A
325
Residue number B
365
Peptide name
Proteinase-activated receptor 1

Ligandability

Cysteine 325 of Proteinase-activated receptor 1

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 365 of Proteinase-activated receptor 1

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 1 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 ?
35
PDB code
3vw7
Structure name
crystal structure of human protease-activated receptor 1 (par1) bound with antagonist vorapaxar at 2
Structure deposition date
2012-08-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
94
Peptide accession
P25116
Residue number A
325
Residue number B
364
Peptide name
Proteinase-activated receptor 1

Ligandability

Cysteine 325 of Proteinase-activated receptor 1

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 Proteinase-activated receptor 1

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.

If this tool was useful for finding a disulphide, please cite: