Research workbench
Bacillus subtilis lipase a with covalently bound sc-ipg- phosphonate-inhibitor
Analyse Bacillus subtilis lipase a with covalently bound sc-ipg- phosphonate-inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R50
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- P37957
- Ligands
- SIL
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase (EC 3.1.1.3) | protein | 179 | 42% helix, 20% strand | P37957 |
Ligands and binding sites
- SIL · [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 268 | 0.47 | 0.73 | 34 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1R50 · Bacillus subtilis lipase A with covalently bound Sc-IPG-phosphonate-inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P37957 · AlphaFold monomer V2.0 prediction for lipase esta (P37957) · 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 P37957
- Elsewhere: RCSB PDB 1R50 · PDBe 1R50 · UniProt P37957
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