ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Beta-3 adrenergic receptor

Intramolecular
Cysteine 110 and cysteine 196
Cysteine 189 and cysteine 195
Cysteine 110 and cysteine 189
Cysteine 189 and cysteine 196
Cysteine 195 and cysteine 196
Cysteine 110 and cysteine 195
A redox-regulated disulphide may form within Beta-3 adrenergic receptor between cysteines 110 and 196.

Details

Redox score ?
85
PDB code
7xji
Structure name
solabegron-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
110
Residue number B
196
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 110 of Beta-3 adrenergic 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 196 of Beta-3 adrenergic 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 Beta-3 adrenergic receptor between cysteines 189 and 195.

Details

Redox score ?
85
PDB code
7xjh
Structure name
isoproterenol-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
189
Residue number B
195
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 189 of Beta-3 adrenergic 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 195 of Beta-3 adrenergic 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 Beta-3 adrenergic receptor between cysteines 110 and 189. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7xjh
Structure name
isoproterenol-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
110
Residue number B
189
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 110 of Beta-3 adrenergic 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 189 of Beta-3 adrenergic 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 Beta-3 adrenergic receptor between cysteines 189 and 196. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7xjh
Structure name
isoproterenol-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
189
Residue number B
196
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 189 of Beta-3 adrenergic 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 196 of Beta-3 adrenergic 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 Beta-3 adrenergic receptor between cysteines 195 and 196. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7xji
Structure name
solabegron-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
195
Residue number B
196
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 195 of Beta-3 adrenergic 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 196 of Beta-3 adrenergic 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 Beta-3 adrenergic receptor between cysteines 110 and 195. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7xji
Structure name
solabegron-activated dog beta3 adrenergic receptor
Structure deposition date
2022-04-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
O02662
Residue number A
110
Residue number B
195
Peptide name
Beta-3 adrenergic receptor

Ligandability

Cysteine 110 of Beta-3 adrenergic 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 195 of Beta-3 adrenergic 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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