ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-2A adrenergic receptor

Intramolecular
Cysteine 121 and cysteine 203
Cysteine 401 and cysteine 432
Cysteine 216 and cysteine 224
Cysteine 140 and cysteine 224
A redox-regulated disulphide may form within Alpha-2A adrenergic receptor between cysteines 121 and 203.

Details

Redox score ?
89
PDB code
7ej0
Structure name
structure of the alpha2a-adrenergic receptor goa signaling complex
Structure deposition date
2021-04-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08913
Residue number A
121
Residue number B
203
Peptide name
Alpha-2A adrenergic receptor

Ligandability

Cysteine 121 of Alpha-2A 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 203 of Alpha-2A 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 Alpha-2A adrenergic receptor between cysteines 401 and 432.

Details

Redox score ?
68
PDB code
7ejk
Structure name
structure of the alpha2a-adrenergic receptor goa signaling complex bound to oxymetazoline
Structure deposition date
2021-04-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
46
Peptide accession
P08913
Residue number A
401
Residue number B
432
Peptide name
Alpha-2A adrenergic receptor

Ligandability

Cysteine 401 of Alpha-2A 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 432 of Alpha-2A 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 Alpha-2A adrenergic receptor between cysteines 216 and 224. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7ej0
Structure name
structure of the alpha2a-adrenergic receptor goa signaling complex
Structure deposition date
2021-04-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
56
Peptide accession
P08913
Residue number A
216
Residue number B
224
Peptide name
Alpha-2A adrenergic receptor

Ligandability

Cysteine 216 of Alpha-2A 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 224 of Alpha-2A 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 Alpha-2A adrenergic receptor between cysteines 140 and 224. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7w6p
Structure name
cryo-em structure of the alpha2a adrenergic receptor goa signaling complex bound to a g protein biased agonist
Structure deposition date
2021-12-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
65
Peptide accession
P08913
Residue number A
140
Residue number B
224
Peptide name
Alpha-2A adrenergic receptor

Ligandability

Cysteine 140 of Alpha-2A 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 224 of Alpha-2A 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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