Research workbench
Crystal structure of human mono-glyceride lipase in complex with SAR127303
Analyse Crystal structure of human mono-glyceride lipase in complex with SAR127303 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UUQ
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoglyceride lipase
- EC
- 3.1.1.23
- UniProt
- Q99685
- Ligands
- 64D
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoglyceride lipase (EC 3.1.1.23) | protein | 290 | 41% helix, 17% strand | Q99685 |
| B | Monoglyceride lipase (EC 3.1.1.23) | protein | 278 | 41% helix, 17% strand | Q99685 |
Ligands and binding sites
- 64D · 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.77 | 0.84 | 46 | 64D |
| 2 | 104 | 0.73 | 0.94 | 19 | empty |
| 3 | 507 | 0.73 | 0.81 | 43 | 64D |
Interfaces
1 interface between chains.
- A–B · 931 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4UUQ · Crystal structure of human mono-glyceride lipase in complex with SAR127303 · 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 0.97
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 4UUQ · PDBe 4UUQ · UniProt Q99685
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