› 5t1a

X-ray diffraction
2.81Å resolution

Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists

Released:
DOI: 10.2210/pdb5t1a/pdb
PDB entry 5t1a coloured by chain, front view.
PDB entry 5t1a coloured by chain, side view.
PDB entry 5t1a coloured by chain, top view.
Source organisms:
Primary publication:
Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Zheng Y, Qin L, Zacarías NV, de Vries H, Han GW, Gustavsson M, Dabros M, Zhao C, Cherney RJ, Carter P, Stamos D, Abagyan R, Cherezov V, Stevens RC, IJzerman AP, Heitman LH, Tebben A, Kufareva I, Handel TM
Nature 540 458-461 (2016)
PMID: 27926736

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132988 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-C chemokine receptor type 2; Endolysin Chain: A
Molecule details ›
Chain: A
Length: 508 amino acids
Theoretical weight: 57.93 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P41597 (Residues: 2-234, 235-318; Coverage: 85%)
  • Canonical: P00720 (Residues: 3-163; Coverage: 98%)
Gene names: CCR2, CMKBR2, E
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand 73R 1 x 73R
Ligand VT5 1 x VT5
Ligand SO4 4 x SO4
Ligand OLC 1 x OLC
Ligand ZN 1 x ZN
1 modified residue:
Ligand YCM 1 x YCM

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 59.23Å b: 64.69Å c: 169.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 0.234 0.274
Expression system: Spodoptera frugiperda

Quick links

Citations

29 review citations

A guide to chemokines and their receptors.
Hughes et al. (2018)
28 more

60 mentions without citation

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