ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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C5a anaphylatoxin chemotactic receptor 1

Intramolecular
Cysteine 109 and cysteine 188
Cysteine 86 and cysteine 293
Cysteine 86 and cysteine 294
Cysteine 293 and cysteine 294
A redox-regulated disulphide may form within C5a anaphylatoxin chemotactic receptor 1 between cysteines 109 and 188.

Details

Redox score ?
85
PDB code
5o9h
Structure name
crystal structure of thermostabilised human c5a anaphylatoxin chemotactic receptor 1 (c5ar) in complex with ndt9513727
Structure deposition date
2017-06-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21730
Residue number A
109
Residue number B
188
Peptide name
C5a anaphylatoxin chemotactic receptor 1

Ligandability

Cysteine 109 of C5a anaphylatoxin chemotactic 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 188 of C5a anaphylatoxin chemotactic 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 C5a anaphylatoxin chemotactic receptor 1 between cysteines 86 and 293. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5o9h
Structure name
crystal structure of thermostabilised human c5a anaphylatoxin chemotactic receptor 1 (c5ar) in complex with ndt9513727
Structure deposition date
2017-06-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
94
Minimum pKa ?
13
% buried
91
Peptide accession
P21730
Residue number A
86
Residue number B
293
Peptide name
C5a anaphylatoxin chemotactic receptor 1

Ligandability

Cysteine 86 of C5a anaphylatoxin chemotactic 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 293 of C5a anaphylatoxin chemotactic 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 C5a anaphylatoxin chemotactic receptor 1 between cysteines 86 and 294. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5o9h
Structure name
crystal structure of thermostabilised human c5a anaphylatoxin chemotactic receptor 1 (c5ar) in complex with ndt9513727
Structure deposition date
2017-06-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
81
Peptide accession
P21730
Residue number A
86
Residue number B
294
Peptide name
C5a anaphylatoxin chemotactic receptor 1

Ligandability

Cysteine 86 of C5a anaphylatoxin chemotactic 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 294 of C5a anaphylatoxin chemotactic 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 C5a anaphylatoxin chemotactic receptor 1 between cysteines 293 and 294 (379 and 380 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6c1r
Structure name
crystal structure of human c5a receptor in complex with an orthosteric antagonist pmx53 and an allosteric antagonist avacopan
Structure deposition date
2018-01-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
97
Minimum pKa ?
11
% buried
87
Peptide accession
P21730
Residue number A
293
Residue number B
294
Peptide name
C5a anaphylatoxin chemotactic receptor 1

Ligandability

Cysteine 293 of C5a anaphylatoxin chemotactic 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 294 of C5a anaphylatoxin chemotactic 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.

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