ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Adenosine receptor A1

Intramolecular
Cysteine 260 and cysteine 263
Cysteine 80 and cysteine 169
Cysteine 255 and cysteine 260
Cysteine 80 and cysteine 85
A redox-regulated disulphide may form within Adenosine receptor A1 between cysteines 260 and 263.

Details

Redox score ?
89
PDB code
5uen
Structure name
crystal structure of the human adenosine a1 receptor a1ar-bril in complex with the covalent antagonist du172 at 3
Structure deposition date
2017-01-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
27
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30542
Residue number A
260
Residue number B
263
Peptide name
Adenosine receptor A1

Ligandability

Cysteine 260 of Adenosine receptor A1

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 263 of Adenosine receptor A1

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 Adenosine receptor A1 between cysteines 80 and 169 (1185 and 1274 respectively in this structure).

Details

Redox score ?
85
PDB code
5n2s
Structure name
crystal structure of stabilized a1 receptor in complex with psb36 at 3
Structure deposition date
2017-02-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30542
Residue number A
80
Residue number B
169
Peptide name
Adenosine receptor A1

Ligandability

Cysteine 80 of Adenosine receptor A1

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 169 of Adenosine receptor A1

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 Adenosine receptor A1 between cysteines 255 and 260. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6d9h
Structure name
cryo-em structure of the human adenosine a1 receptor-gi2-protein complex bound to its endogenous agonist
Structure deposition date
2018-04-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
38
Minimum pKa ?
10
% buried
nan
Peptide accession
P30542
Residue number A
255
Residue number B
260
Peptide name
Adenosine receptor A1

Ligandability

Cysteine 255 of Adenosine receptor A1

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 260 of Adenosine receptor A1

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 Adenosine receptor A1 between cysteines 80 and 85 (1185 and 1190 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5n2s
Structure name
crystal structure of stabilized a1 receptor in complex with psb36 at 3
Structure deposition date
2017-02-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
nan
Peptide accession
P30542
Residue number A
80
Residue number B
85
Peptide name
Adenosine receptor A1

Ligandability

Cysteine 80 of Adenosine receptor A1

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 85 of Adenosine receptor A1

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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