ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Calcitonin receptor

Intramolecular
Cysteine 95 and cysteine 134
Cysteine 219 and cysteine 289
Cysteine 55 and cysteine 81
Cysteine 72 and cysteine 112
Cysteine 392 and cysteine 394
Cysteine 232 and cysteine 239
A redox-regulated disulphide may form within Calcitonin receptor between cysteines 95 and 134.

Details

Redox score ?
86
PDB code
5ii0
Structure name
crystal structure of the human calcitonin receptor ectodomain in complex with a truncated salmon calcitonin analogue
Structure deposition date
2016-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30988
Residue number A
95
Residue number B
134
Peptide name
Calcitonin receptor

Ligandability

Cysteine 95 of Calcitonin 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 Calcitonin 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 receptor between cysteines 219 and 289.

Details

Redox score ?
86
PDB code
7tyl
Structure name
calcitonin receptor in complex with gs and rat amylin peptide, bypass motif
Structure deposition date
2022-02-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30988
Residue number A
219
Residue number B
289
Peptide name
Calcitonin receptor

Ligandability

Cysteine 219 of Calcitonin 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 289 of Calcitonin 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 receptor between cysteines 55 and 81.

Details

Redox score ?
83
PDB code
5ii0
Structure name
crystal structure of the human calcitonin receptor ectodomain in complex with a truncated salmon calcitonin analogue
Structure deposition date
2016-03-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30988
Residue number A
55
Residue number B
81
Peptide name
Calcitonin receptor

Ligandability

Cysteine 55 of Calcitonin 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 81 of Calcitonin 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 receptor between cysteines 72 and 112.

Details

Redox score ?
76
PDB code
6pfo
Structure name
crystal structure of n-glycosylated human calcitonin receptor extracellular domain in complex with salmon calcitonin (16-32)
Structure deposition date
2019-06-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
10
Peptide accession
P30988
Residue number A
72
Residue number B
112
Peptide name
Calcitonin receptor

Ligandability

Cysteine 72 of Calcitonin 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 112 of Calcitonin 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 receptor between cysteines 392 and 394. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7tyh
Structure name
human amylin2 receptor in complex with gs and human calcitonin peptide
Structure deposition date
2022-02-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
44
Peptide accession
P30988
Residue number A
392
Residue number B
394
Peptide name
Calcitonin receptor

Ligandability

Cysteine 392 of Calcitonin 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 394 of Calcitonin 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 receptor between cysteines 232 and 239. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7tyi
Structure name
calcitonin receptor in complex with gs and rat amylin peptide, ct-like state
Structure deposition date
2022-02-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
79
Minimum pKa ?
13
% buried
100
Peptide accession
P30988
Residue number A
232
Residue number B
239
Peptide name
Calcitonin receptor

Ligandability

Cysteine 232 of Calcitonin 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 239 of Calcitonin 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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