› 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 entry 5o9h coloured by chain, front view.
PDB entry 5o9h coloured by chain, side view.
PDB entry 5o9h coloured by chain, top view.
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:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149409 (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

13 review citations

Structural insights into G-protein-coupled receptor allostery.
Thal et al. (2018)
12 more

26 mentions without citation

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