› 7sh0

X-ray diffraction
3.2Å resolution

CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE

Released:
DOI: 10.2210/pdb7sh0/pdb
PDB entry 7sh0 coloured by chain, front view.
PDB entry 7sh0 coloured by chain, side view.
PDB entry 7sh0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Camberlein V, Fléau C, Sierocki P, Li L, Gealageas R, Bosc D, Guillaume V, Warenghem S, Leroux F, Rosell M, Cheng K, Medve L, Prigent M, Decanter M, Piveteau C, Biela A, Eveque M, Dumont J, Mpakali A, Giastas P, Herledan A, Couturier C, Haupenthal J, Lesire L, Hirsch AKH, Deprez B, Stratikos E, Bouvier M, Deprez-Poulain R
OpenAccess logo Angew Chem Int Ed Engl 61 e202203560 (2022)
PMID: 35904863

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180096 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endoplasmic reticulum aminopeptidase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 967 amino acids
Theoretical weight: 111.56 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q6P179 (Residues: 1-960; Coverage: 100%)
Gene names: ERAP2, LRAP
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand ZN 2 x ZN
Ligand GIY 2 x GIY
Ligand EPE 1 x EPE
Ligand MES 4 x MES
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 75.485Å b: 135.949Å c: 129.812Å
α: 90° β: 90.49° γ: 90°
R-values:
R R work R free
0.21 0.207 0.254
Expression system: Homo sapiens

Quick links

Citations

3 citation in other articles

Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Camberlein et al. (2022)
2 more

1 mention without citation

The Many Ways to Deal with STING.
Coderch et al. (2023)