› 6t6r

X-ray diffraction
1.67Å resolution

Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid

Released:
DOI: 10.2210/pdb6t6r/pdb
PDB entry 6t6r coloured by chain, front view.
PDB entry 6t6r coloured by chain, side view.
PDB entry 6t6r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
Liddle J, Hutchinson JP, Kitchen S, Rowland P, Neu M, Cecconie T, Holmes DS, Jones E, Korczynska J, Koumantou D, Lea JD, Nickels L, Pemberton M, Phillipou A, Schneck JL, Sheehan H, Tinworth CP, Uings I, Wojno-Picon J, Young RJ, Stratikos E
J. Med. Chem. (2020)
PMID: 32109056

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-192727 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endoplasmic reticulum aminopeptidase 1 Chain: A
Molecule details ›
Chain: A
Length: 922 amino acids
Theoretical weight: 105.34 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q9NZ08 (Residues: 1-941; Coverage: 97%)
Gene names: APPILS, ARTS1, ERAP1, KIAA0525, UNQ584/PRO1154
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand MLT 2 x MLT
Ligand EDO 18 x EDO
Ligand MNZ 1 x MNZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P21212
Unit cell:
a: 113.22Å b: 140.26Å c: 57.92Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.194
Expression system: unidentified baculovirus

Quick links

Citations

4 review citations

Advances in high-throughput mass spectrometry in drug discovery.
Dueñas et al. (2023)
3 more