› 2xx7

X-ray diffraction
2.2Å resolution

Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution.

Released:
DOI: 10.2210/pdb2xx7/pdb
PDB entry 2xx7 coloured by chain, front view.
PDB entry 2xx7 coloured by chain, side view.
PDB entry 2xx7 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Integration of lead optimization with crystallography for a membrane-bound ion channel target: discovery of a new class of AMPA receptor positive allosteric modulators.
Ward SE, Harries M, Aldegheri L, Austin NE, Ballantine S, Ballini E, Bradley DM, Bax BD, Clarke BP, Harris AJ, Harrison SA, Melarange RA, Mookherjee C, Mosley J, Dal Negro G, Oliosi B, Smith KJ, Thewlis KM, Woollard PM, Yusaf SP
J Med Chem 54 78-94 (2011)
PMID: 21128618

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148607 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glutamate receptor 2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 291 amino acids
Theoretical weight: 32.19 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19491 (Residues: 413-527, 653-795; Coverage: 30%)
Gene names: GluA2, Glur2, Gria2
Sequence domains:
Structure domains: Periplasmic binding protein-like II

Ligands and Environments

4 bound ligands:
Ligand GLU 3 x GLU
Ligand 1ND 2 x 1ND
Ligand SO4 1 x SO4
Ligand ZN 5 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: P21212
Unit cell:
a: 113.366Å b: 161.901Å c: 47.125Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.166 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Functional insights from glutamate receptor ion channel structures.
Kumar et al. (2013)
6 more