ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Parathyroid hormone/parathyroid hormone-related peptide receptor

Intramolecular
Cysteine 131 and cysteine 170
Cysteine 108 and cysteine 148
Cysteine 48 and cysteine 117
Cysteine 281 and cysteine 351
Cysteine 460 and cysteine 462
A redox-regulated disulphide may form within Parathyroid hormone/parathyroid hormone-related peptide receptor between cysteines 131 and 170.

Details

Redox score ?
87
PDB code
6fj3
Structure name
high resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist
Structure deposition date
2018-01-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q03431
Residue number A
131
Residue number B
170
Peptide name
Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligandability

Cysteine 131 of Parathyroid hormone/parathyroid hormone-related peptide 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 170 of Parathyroid hormone/parathyroid hormone-related peptide 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 Parathyroid hormone/parathyroid hormone-related peptide receptor between cysteines 108 and 148.

Details

Redox score ?
86
PDB code
3l2j
Structure name
dimeric structure of the ligand-free extracellular domain of the human parathyroid hormone receptor (pth1r)
Structure deposition date
2009-12-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q03431
Residue number A
108
Residue number B
148
Peptide name
Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligandability

Cysteine 108 of Parathyroid hormone/parathyroid hormone-related peptide 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 148 of Parathyroid hormone/parathyroid hormone-related peptide 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 Parathyroid hormone/parathyroid hormone-related peptide receptor between cysteines 48 and 117 (48 and 73 respectively in this structure).

Details

Redox score ?
85
PDB code
7uzp
Structure name
parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing three beta-amino acids
Structure deposition date
2022-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q03431
Residue number A
48
Residue number B
117
Peptide name
Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligandability

Cysteine 48 of Parathyroid hormone/parathyroid hormone-related peptide 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 117 of Parathyroid hormone/parathyroid hormone-related peptide 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 Parathyroid hormone/parathyroid hormone-related peptide receptor between cysteines 281 and 351.

Details

Redox score ?
65
PDB code
8haf
Structure name
pthrp-pth1r-gs complex
Structure deposition date
2022-10-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
50
Peptide accession
Q03431
Residue number A
281
Residue number B
351
Peptide name
Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligandability

Cysteine 281 of Parathyroid hormone/parathyroid hormone-related peptide 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 351 of Parathyroid hormone/parathyroid hormone-related peptide 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 Parathyroid hormone/parathyroid hormone-related peptide receptor between cysteines 460 and 462. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6fj3
Structure name
high resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist
Structure deposition date
2018-01-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
42
Peptide accession
Q03431
Residue number A
460
Residue number B
462
Peptide name
Parathyroid hormone/parathyroid hormone-related peptide receptor

Ligandability

Cysteine 460 of Parathyroid hormone/parathyroid hormone-related peptide 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 462 of Parathyroid hormone/parathyroid hormone-related peptide 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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