Research workbench
Crystal structure of human monoacylglycerol lipase in complex with compound 3L
Analyse Crystal structure of human monoacylglycerol lipase in complex with compound 3L in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ZUN
- Type
- protein
- Length
- 289 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoglyceride lipase
- EC
- 3.1.1.23
- UniProt
- Q99685
- Ligands
- 9JX, CL
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoglyceride lipase (EC 3.1.1.23) | protein | 289 | 42% helix, 17% strand | Q99685 |
Ligands and binding sites
- 9JX · (4R)-1-(2'-chloro[1,1'-biphenyl]-3-yl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one · ligand · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.78 | 0.86 | 48 | 9JX, PG4, EDO |
Compared structures
- 5ZUN · Crystal structure of human monoacylglycerol lipase in complex with compound 3l · the same entry in another collection · chain A against A, TM-score 1.00
- Q99685 · AlphaFold monomer V2.0 prediction for monoglyceride lipase (Q99685) · 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 Q99685
- Elsewhere: RCSB PDB 5ZUN · PDBe 5ZUN · UniProt Q99685
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