› 6q4r

X-ray diffraction
1.6Å resolution

High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor

Released:
DOI: 10.2210/pdb6q4r/pdb
PDB entry 6q4r coloured by chain, front view.
PDB entry 6q4r coloured by chain, side view.
PDB entry 6q4r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor.
Giastas P, Neu M, Rowland P, Stratikos E
ACS Med Chem Lett 10 708-713 (2019)
PMID: 31097987

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192727 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Endoplasmic reticulum aminopeptidase 1 Chain: A
Molecule details ›
Chain: A
Length: 912 amino acids
Theoretical weight: 103.96 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9NZ08 (Residues: 1-485, 514-937; Coverage: 97%)
Gene names: APPILS, ARTS1, ERAP1, KIAA0525, UNQ584/PRO1154
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
9 bound ligands:
Ligand NAG 2 x NAG
Ligand ZN 1 x ZN
Ligand HJ5 1 x HJ5
Ligand B3P 1 x B3P
Ligand EDO 30 x EDO
Ligand MLT 1 x MLT
Ligand P6G 1 x P6G
Ligand PG4 1 x PG4
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Unit cell:
a: 57.683Å b: 116.669Å c: 147.267Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.213
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

The Discovery of Insulin-Regulated Aminopeptidase (IRAP) Inhibitors: A Literature Review.
Georgiadis et al. (2020)
3 more

8 mentions without citation

Marine Invertebrates: A Promissory Still Unexplored Source of Inhibitors of Biomedically Relevant Metallo Aminopeptidases Belonging to the M1 and M17 Families.
Pascual Alonso et al. (2023)
7 more