› 8d52

X-ray diffraction
2.02Å resolution

Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine

Released:
DOI: 10.2210/pdb8d52/pdb
PDB entry 8d52 coloured by chain, front view.
PDB entry 8d52 coloured by chain, side view.
PDB entry 8d52 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Yu Z, Kreitler DF, Chiu YTT, Xu R, Bruchs AT, Bingman CA, Gellman SH
Angew Chem Int Ed Engl 62 e202308100 (2023)
PMID: 37587780

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-536792 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Parathyroid hormone/parathyroid hormone-related peptide receptor Chain: A
Molecule details ›
Chain: A
Length: 103 amino acids
Theoretical weight: 12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q03431 (Residues: 29-174; Coverage: 18%)
Gene names: PTH1R, PTHR, PTHR1
Sequence domains: Hormone receptor domain
PTHrP[1-36] Chain: B
Molecule details ›
Chain: B
Length: 22 amino acids
Theoretical weight: 2.83 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P12272 (Residues: 51-72; Coverage: 14%)
Gene names: PTHLH, PTHRP

Ligands and Environments

2 bound ligands:
Ligand EDO 1 x EDO
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: R32
Unit cell:
a: 57.383Å b: 57.383Å c: 205.208Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.207 0.204 0.244
Expression systems:
  • Escherichia coli
  • Not provided

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