› 6mgq

X-ray diffraction
2.92Å resolution

ERAP1 in the open conformation bound to 10mer phosphinic inhibitor DG014

Released:
DOI: 10.2210/pdb6mgq/pdb
PDB entry 6mgq coloured by chain, front view.
PDB entry 6mgq coloured by chain, side view.
PDB entry 6mgq coloured by chain, top view.
Source organisms:
Primary publication:
Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism.
Maben Z, Arya R, Georgiadis D, Stratikos E, Stern LJ
Nat Commun 12 5302 (2021)
PMID: 34489420

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-167066 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (5 distinct):
Endoplasmic reticulum aminopeptidase 1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 948 amino acids
Theoretical weight: 108.56 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q9NZ08 (Residues: 33-939; Coverage: 96%)
Gene names: APPILS, ARTS1, ERAP1, KIAA0525, UNQ584/PRO1154
Sequence domains:
Phosphinic inhibitor DG014 Chains: D, E, F
Molecule details ›
Chains: D, E, F
Length: 10 amino acids
Theoretical weight: 1.28 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
2 bound ligands:
Ligand ZN 3 x ZN
Ligand UNX 3 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P21
Unit cell:
a: 56.14Å b: 234.7Å c: 132.28Å
α: 90° β: 93.12° γ: 90°
R-values:
R R work R free
0.201 0.198 0.256
Expression systems:
  • Trichoplusia ni
  • Not provided

Quick links

Citations

3 review citations

Mechanistic diversity in MHC class I antigen recognition.
Barbosa et al. (2021)
2 more

2 mentions without citation

Discovery of Selective Inhibitors of Endoplasmic Reticulum Aminopeptidase 1.
Maben et al. (2020)
1 more