ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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D(1A) dopamine receptor

Intramolecular
Cysteine 96 and cysteine 186
Cysteine 298 and cysteine 307
Cysteine 283 and cysteine 284
Cysteine 293 and cysteine 298
A redox-regulated disulphide may form within D(1A) dopamine receptor between cysteines 96 and 186.

Details

Redox score ?
86
PDB code
7joz
Structure name
crystal structure of dopamine d1 receptor in complex with g protein and a non-catechol agonist
Structure deposition date
2020-08-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21728
Residue number A
96
Residue number B
186
Peptide name
D(1A) dopamine receptor

Ligandability

Cysteine 96 of D(1A) dopamine receptor

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 186 of D(1A) dopamine receptor

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 D(1A) dopamine receptor between cysteines 298 and 307.

Details

Redox score ?
81
PDB code
7f1o
Structure name
cryo-em structure of the gdp-bound dopamine receptor 1 and mini-gs complex with nb35
Structure deposition date
2021-06-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
29
Minimum pKa ?
9
% buried
0
Peptide accession
P21728
Residue number A
298
Residue number B
307
Peptide name
D(1A) dopamine receptor

Ligandability

Cysteine 298 of D(1A) dopamine receptor

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 307 of D(1A) dopamine receptor

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 D(1A) dopamine receptor between cysteines 283 and 284.

Details

Redox score ?
71
PDB code
7joz
Structure name
crystal structure of dopamine d1 receptor in complex with g protein and a non-catechol agonist
Structure deposition date
2020-08-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
30
Peptide accession
P21728
Residue number A
283
Residue number B
284
Peptide name
D(1A) dopamine receptor

Ligandability

Cysteine 283 of D(1A) dopamine receptor

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 284 of D(1A) dopamine receptor

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 D(1A) dopamine receptor between cysteines 293 and 298. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7f23
Structure name
cryo-em structure of the gtp-bound dopamine receptor 1 and mini-gs complex with nb35
Structure deposition date
2021-06-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
40
Minimum pKa ?
9
% buried
3
Peptide accession
P21728
Residue number A
293
Residue number B
298
Peptide name
D(1A) dopamine receptor

Ligandability

Cysteine 293 of D(1A) dopamine receptor

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 298 of D(1A) dopamine receptor

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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