MolNFT v1 · #115759 · protein
Wild-type bacillus subtilis lipase a with 20% [BMIM][CL]
5CT6 · Lipase esta: “Wild-type bacillus subtilis lipase a with 20% [BMIM][CL]”. X-ray diffraction, 2 ligands (BM0, CL), 2 pockets (best druggability 0.63). MolNFT v1 #115759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CT6
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase esta
- EC
- 3.1.1.3
- UniProt
- P37957
- Ligands
- BM0, CL
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase esta (EC 3.1.1.3) | protein | 179 | 40% helix, 20% strand | P37957 |
Ligands and binding sites
- BM0 · 1-butyl-3-methyl-1H-imidazol-3-ium · ligand · 8 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 317 | 0.63 | 0.79 | 33 | BM0, CL |
| 2 | 51 | 0.31 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 388 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
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 5CT6 · PDBe 5CT6 · UniProt P37957
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