› 6c1q

X-ray diffraction
2.9Å resolution

Crystal structure of human C5a receptor in complex with an orthosteric antagonist PMX53 and an allosteric antagonist NDT9513727

Released:
DOI: 10.2210/pdb6c1q/pdb
PDB entry 6c1q coloured by chain, front view.
PDB entry 6c1q coloured by chain, side view.
PDB entry 6c1q coloured by chain, top view.
Source organisms:
Primary publication:
Orthosteric and allosteric action of the C5a receptor antagonists.
Liu H, Kim HR, Deepak RNVK, Wang L, Chung KY, Fan H, Wei Z, Zhang C
Nat Struct Mol Biol 25 472-481 (2018)
PMID: 29867214

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142049 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
C5a anaphylatoxin chemotactic receptor 1; Soluble cytochrome b562 Chain: B
Molecule details ›
Chain: B
Length: 422 amino acids
Theoretical weight: 47.51 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
  • Canonical: P21730 (Residues: 30-331; Coverage: 86%)
Gene names: C5AR, C5AR1, C5R1, cybC
Sequence domains:
PMX53 Chain: L
Molecule details ›
Chain: L
Length: 7 amino acids
Theoretical weight: 899 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 9P2 1 x 9P2
3 modified residues:
Ligand YCM 1 x YCM
Ligand ORN 1 x ORN
Ligand ZAL 1 x ZAL

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 62.369Å b: 52.558Å c: 84.503Å
α: 90° β: 107.75° γ: 90°
R-values:
R R work R free
0.244 0.242 0.286
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

15 review citations

Clinical promise of next-generation complement therapeutics.
Mastellos et al. (2019)
14 more

14 mentions without citation

Allosteric Modulation of Class A GPCRs: Targets, Agents, and Emerging Concepts.
Wold et al. (2019)
13 more