MolNFT v1 · #77658 · protein
Crystal structure of monoacylglycerol lipase from bacillus sp. H257 in complex with pmsf
3RLI · Thermostable monoacylglycerol lipase: “Crystal structure of monoacylglycerol lipase from bacillus sp. H257 in complex with pmsf”. X-ray diffraction, 1 ligand (PMS), 1 pocket (best druggability 0.70). MolNFT v1 #77658 on GenesisL1…
- 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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