› 5o9h

X-ray diffraction
2.7Å resolution

Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727

Released:
DOI: 10.2210/pdb5o9h/pdb
PDB 5o9h coloured by chain and viewed from the front.
PDB 5o9h coloured by chain and viewed from the side.
PDB 5o9h coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.
Robertson N, Rappas M, Doré AS, Brown J, Bottegoni G, Koglin M, Cansfield J, Jazayeri A, Cooke RM, Marshall FH
Nature 553 111-114 (2018)
PMID: 29300009

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C5a anaphylatoxin chemotactic receptor 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 35.74 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P21730 (Residues: 31-333; Coverage: 87%)
Gene names: C5AR, C5AR1, C5R1
Sequence domains: 7 transmembrane receptor (rhodopsin family)

Ligands and Environments

4 bound ligands:
Ligand 9P2 2 x 9P2
Ligand TLA 3 x TLA
Ligand OLA 32 x OLA
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 83.093Å b: 51.096Å c: 118.936Å
α: 90° β: 106.73° γ: 90°
R-values:
R R work R free
0.21 0.208 0.238
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
6 more

3 mentions without citation

Common activation mechanism of class A GPCRs.
Zhou et al. (2019)
2 more