ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Pituitary adenylate cyclase-activating polypeptide type I receptor

Intramolecular
Cysteine 25 and cysteine 219
Cysteine 226 and cysteine 296
Cysteine 77 and cysteine 134
Cysteine 54 and cysteine 118
Cysteine 34 and cysteine 63
Cysteine 176 and cysteine 401
A redox-regulated disulphide may form within Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 25 and 219.

Details

Redox score ?
87
PDB code
8e3x
Structure name
cryo-em structure of the pac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
3
Half-sphere exposure sum ?
35
Minimum pKa ?
7
% buried
4
Peptide accession
P41586
Residue number A
25
Residue number B
219
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 25 of Pituitary adenylate cyclase-activating polypeptide type I 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 219 of Pituitary adenylate cyclase-activating polypeptide type I 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 Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 226 and 296.

Details

Redox score ?
85
PDB code
8e3x
Structure name
cryo-em structure of the pac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41586
Residue number A
226
Residue number B
296
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 226 of Pituitary adenylate cyclase-activating polypeptide type I 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 296 of Pituitary adenylate cyclase-activating polypeptide type I 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 Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 77 and 134 (77 and 113 respectively in this structure).

Details

Redox score ?
85
PDB code
3n94
Structure name
crystal structure of human pituitary adenylate cyclase 1 receptor- short n-terminal extracellular domain
Structure deposition date
2010-05-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
B8ZZK3
Residue number A
77
Residue number B
134
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 77 of Pituitary adenylate cyclase-activating polypeptide type I 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 134 of Pituitary adenylate cyclase-activating polypeptide type I 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 Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 54 and 118 (54 and 97 respectively in this structure).

Details

Redox score ?
85
PDB code
3n94
Structure name
crystal structure of human pituitary adenylate cyclase 1 receptor- short n-terminal extracellular domain
Structure deposition date
2010-05-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
B8ZZK3
Residue number A
54
Residue number B
118
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 54 of Pituitary adenylate cyclase-activating polypeptide type I 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 118 of Pituitary adenylate cyclase-activating polypeptide type I 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 Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 34 and 63.

Details

Redox score ?
83
PDB code
7jqd
Structure name
crystal structure of pac1r in complex with peptide antagonist
Structure deposition date
2020-08-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41586
Residue number A
34
Residue number B
63
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 34 of Pituitary adenylate cyclase-activating polypeptide type I 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 63 of Pituitary adenylate cyclase-activating polypeptide type I 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 Pituitary adenylate cyclase-activating polypeptide type I receptor between cysteines 176 and 401. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6p9y
Structure name
pac1 gpcr receptor complex
Structure deposition date
2019-06-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
45
Peptide accession
P41586
Residue number A
176
Residue number B
401
Peptide name
Pituitary adenylate cyclase-activating polypeptide type I receptor

Ligandability

Cysteine 176 of Pituitary adenylate cyclase-activating polypeptide type I 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 401 of Pituitary adenylate cyclase-activating polypeptide type I 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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