ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Vasoactive intestinal polypeptide receptor 1

Intramolecular
Cysteine 63 and cysteine 105
Cysteine 215 and cysteine 285
Cysteine 86 and cysteine 122
Cysteine 50 and cysteine 72
Cysteine 37 and cysteine 208
Cysteine 72 and cysteine 105
Cysteine 63 and cysteine 72
Cysteine 208 and cysteine 285
Cysteine 50 and cysteine 105
A redox-regulated disulphide may form within Vasoactive intestinal polypeptide receptor 1 between cysteines 63 and 105.

Details

Redox score ?
85
PDB code
8e3y
Structure name
cryo-em structure of the vpac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
63
Residue number B
105
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 63 of Vasoactive intestinal polypeptide receptor 1

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 105 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 215 and 285.

Details

Redox score ?
85
PDB code
8e3y
Structure name
cryo-em structure of the vpac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
215
Residue number B
285
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 215 of Vasoactive intestinal polypeptide receptor 1

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 285 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 86 and 122.

Details

Redox score ?
85
PDB code
8e3z
Structure name
cryo-em structure of the vpac1r-vip-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
86
Residue number B
122
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 86 of Vasoactive intestinal polypeptide receptor 1

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 122 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 50 and 72.

Details

Redox score ?
83
PDB code
8e3y
Structure name
cryo-em structure of the vpac1r-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
P32241
Residue number A
50
Residue number B
72
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 50 of Vasoactive intestinal polypeptide receptor 1

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 72 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 37 and 208.

Details

Redox score ?
82
PDB code
8e3y
Structure name
cryo-em structure of the vpac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
8
% buried
41
Peptide accession
P32241
Residue number A
37
Residue number B
208
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 37 of Vasoactive intestinal polypeptide receptor 1

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 208 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 72 and 105. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
8e3z
Structure name
cryo-em structure of the vpac1r-vip-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
72
Residue number B
105
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 72 of Vasoactive intestinal polypeptide receptor 1

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 105 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 63 and 72. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
8e3z
Structure name
cryo-em structure of the vpac1r-vip-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
63
Residue number B
72
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 63 of Vasoactive intestinal polypeptide receptor 1

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 72 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 208 and 285. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
8e3y
Structure name
cryo-em structure of the vpac1r-pacap27-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
8
% buried
nan
Peptide accession
P32241
Residue number A
208
Residue number B
285
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 208 of Vasoactive intestinal polypeptide receptor 1

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 285 of Vasoactive intestinal polypeptide receptor 1

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 Vasoactive intestinal polypeptide receptor 1 between cysteines 50 and 105. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
8e3z
Structure name
cryo-em structure of the vpac1r-vip-gs complex
Structure deposition date
2022-08-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32241
Residue number A
50
Residue number B
105
Peptide name
Vasoactive intestinal polypeptide receptor 1

Ligandability

Cysteine 50 of Vasoactive intestinal polypeptide receptor 1

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 105 of Vasoactive intestinal polypeptide receptor 1

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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