ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Pro-adrenomedullin

Intermolecular
Cysteine 115 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor
Cysteine 110 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor
Intramolecular
Cysteine 110 and cysteine 115
A redox-regulated disulphide may form between cysteine 115 of Pro-adrenomedullin and cysteine 299 of Calcitonin gene-related peptide type 1 receptor (21 and 299 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6uun
Structure name
cryoem structure of the active adrenomedullin 1 receptor g protein complex with adrenomedullin peptide
Structure deposition date
2019-10-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
nan
Peptide A name
Pro-adrenomedullin
Peptide B name
Calcitonin gene-related peptide type 1 receptor
Peptide A accession
P35318
Peptide B accession
Q16602
Peptide A residue number
115
Peptide B residue number
299

Ligandability

Cysteine 115 of Pro-adrenomedullin

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 299 of Calcitonin gene-related peptide type 1 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 between cysteine 110 of Pro-adrenomedullin and cysteine 299 of Calcitonin gene-related peptide type 1 receptor (16 and 299 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6uun
Structure name
cryoem structure of the active adrenomedullin 1 receptor g protein complex with adrenomedullin peptide
Structure deposition date
2019-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
11
% buried
nan
Peptide A name
Pro-adrenomedullin
Peptide B name
Calcitonin gene-related peptide type 1 receptor
Peptide A accession
P35318
Peptide B accession
Q16602
Peptide A residue number
110
Peptide B residue number
299

Ligandability

Cysteine 110 of Pro-adrenomedullin

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 299 of Calcitonin gene-related peptide type 1 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 Pro-adrenomedullin between cysteines 110 and 115 (16 and 21 respectively in this structure).

Details

Redox score ?
87
PDB code
2l7s
Structure name
determination of the three-dimensional structure of adrenomedullin, a first step towards the analysis of its interactions with receptors and small molecules
Structure deposition date
2010-12-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
30
Minimum pKa ?
nan
% buried
nan
Peptide accession
P35318
Residue number A
110
Residue number B
115
Peptide name
Pro-adrenomedullin

Ligandability

Cysteine 110 of Pro-adrenomedullin

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 115 of Pro-adrenomedullin

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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