ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mas-related G-protein coupled receptor member X1

Intramolecular
Cysteine 161 and cysteine 173
Cysteine 23 and cysteine 251
Cysteine 188 and cysteine 192
A redox-regulated disulphide may form within Mas-related G-protein coupled receptor member X1 between cysteines 161 and 173.

Details

Redox score ?
85
PDB code
8dwh
Structure name
cryoem structure of gq-coupled mrgprx1 with ligand compound-16
Structure deposition date
2022-08-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96LB2
Residue number A
161
Residue number B
173
Peptide name
Mas-related G-protein coupled receptor member X1

Ligandability

Cysteine 161 of Mas-related G-protein coupled receptor member X1

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 173 of Mas-related G-protein coupled receptor member X1

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 Mas-related G-protein coupled receptor member X1 between cysteines 23 and 251.

Details

Redox score ?
79
PDB code
8dwc
Structure name
cryoem structure of gq-coupled mrgprx1 with peptide agonist bam8-22
Structure deposition date
2022-08-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
nan
Peptide accession
Q96LB2
Residue number A
23
Residue number B
251
Peptide name
Mas-related G-protein coupled receptor member X1

Ligandability

Cysteine 23 of Mas-related G-protein coupled receptor member X1

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 251 of Mas-related G-protein coupled receptor member X1

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 Mas-related G-protein coupled receptor member X1 between cysteines 188 and 192.

Details

Redox score ?
72
PDB code
8dwc
Structure name
cryoem structure of gq-coupled mrgprx1 with peptide agonist bam8-22
Structure deposition date
2022-08-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
9
% buried
27
Peptide accession
Q96LB2
Residue number A
188
Residue number B
192
Peptide name
Mas-related G-protein coupled receptor member X1

Ligandability

Cysteine 188 of Mas-related G-protein coupled receptor member X1

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 192 of Mas-related G-protein coupled receptor member X1

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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