Research workbench
Crystal structure of monoacylglycerol lipase from bacillus sp. H257 in complex with pmsf
Analyse Crystal structure of monoacylglycerol lipase from bacillus sp. H257 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RLI
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thermostable monoacylglycerol lipase
- EC
- 3.1.1.23
- UniProt
- P82597
- Ligands
- PMS
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thermostable monoacylglycerol lipase (EC 3.1.1.23) | protein | 243 | 40% helix, 18% strand | P82597 |
Ligands and binding sites
- PMS · phenylmethanesulfonic acid · ligand · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · 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 | 287 | 0.70 | 0.84 | 32 | PMS |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3RLI · Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF · the same entry in another collection · chain A against A, TM-score 1.00
- P82597 · AlphaFold monomer V2.0 prediction for thermostable monoacylglycerol lipase (P82597) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P82597
- Elsewhere: RCSB PDB 3RLI · PDBe 3RLI · UniProt P82597
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