ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Calcitonin gene-related peptide 1

Intermolecular
Cysteine 89 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor
Cysteine 84 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor
Intramolecular
Cysteine 84 and cysteine 89
A redox-regulated disulphide may form between cysteine 89 of Calcitonin gene-related peptide 1 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor (7 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 ?
40
PDB code
6e3y
Structure name
cryo-em structure of the active, gs-protein complexed, human cgrp receptor
Structure deposition date
2018-07-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
nan
Peptide A name
Calcitonin gene-related peptide 1
Peptide B name
Calcitonin gene-related peptide type 1 receptor
Peptide A accession
P06881
Peptide B accession
Q16602
Peptide A residue number
89
Peptide B residue number
299

Ligandability

Cysteine 89 of Calcitonin gene-related peptide 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 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 84 of Calcitonin gene-related peptide 1 and cysteine 299 of Calcitonin gene-related peptide type 1 receptor (2 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 ?
35
PDB code
6e3y
Structure name
cryo-em structure of the active, gs-protein complexed, human cgrp receptor
Structure deposition date
2018-07-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
11
% buried
nan
Peptide A name
Calcitonin gene-related peptide 1
Peptide B name
Calcitonin gene-related peptide type 1 receptor
Peptide A accession
P06881
Peptide B accession
Q16602
Peptide A residue number
84
Peptide B residue number
299

Ligandability

Cysteine 84 of Calcitonin gene-related peptide 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 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 Calcitonin gene-related peptide 1 between cysteines 84 and 89 (2 and 7 respectively in this structure).

Details

Redox score ?
85
PDB code
6e3y
Structure name
cryo-em structure of the active, gs-protein complexed, human cgrp receptor
Structure deposition date
2018-07-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06881
Residue number A
84
Residue number B
89
Peptide name
Calcitonin gene-related peptide 1

Ligandability

Cysteine 84 of Calcitonin gene-related peptide 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 89 of Calcitonin gene-related peptide 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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