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

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 22% strand (DSSP).

Ligands and binding sites

• MLT · D-malate · ligand · 2 copies · chains A
• MNZ · (4~{A}~{R},5~{S},6~{R},8~{S},8~{A}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{A}-trimethyl-8-oxidanyl-3,4,4~{A},6, 7,8-hexahydronaphthalene-1-carboxylic acid · ligand · chains A
• ZN · Zinc ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 18 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6T6R · Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9NZ08 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum aminopeptidase 1 (Q9NZ08) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9NZ08
• Elsewhere: RCSB PDB 6T6R · PDBe 6T6R · UniProt Q9NZ08