› 5zun

X-ray diffraction
1.35Å resolution

Crystal structure of human monoacylglycerol lipase in complex with compound 3l

Released:
DOI: 10.2210/pdb5zun/pdb
PDB entry 5zun coloured by chain, front view.
PDB entry 5zun coloured by chain, side view.
PDB entry 5zun coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Evaluation of Piperazinyl Pyrrolidin-2-ones as a Novel Series of Reversible Monoacylglycerol Lipase Inhibitors.
Aida J, Fushimi M, Kusumoto T, Sugiyama H, Arimura N, Ikeda S, Sasaki M, Sogabe S, Aoyama K, Koike T
J Med Chem 61 9205-9217 (2018)
PMID: 30251836

Function and Biology Details

Reaction catalysed: 
Hydrolyzes glycerol monoesters of long-chain fatty acids
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Monoglyceride lipase Chain: A
Molecule details ›
Chain: A
Length: 305 amino acids
Theoretical weight: 33.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q99685 (Residues: 1-303; Coverage: 100%)
Gene name: MGLL
Sequence domains: Serine aminopeptidase, S33
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand 9JX 1 x 9JX
Ligand PG4 1 x PG4
Ligand EDO 8 x EDO
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2221
Unit cell:
a: 95.149Å b: 127.224Å c: 60.25Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.147 0.16
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Monoacylglycerol lipase inhibitors: modulators for lipid metabolism in cancer malignancy, neurological and metabolic disorders.
Deng et al. (2020)
4 more

8 mentions without citation

A New Ultrasensitive Bioluminescence-Based Method for Assaying Monoacylglycerol Lipase.
Miceli et al. (2021)
7 more