MolNFT v1 · #9772 · protein
The crystal structure of bacillus subtilis lipase: a minimal ALPHA/BETA hydrolase enzyme
1I6W · Lipase a: “The crystal structure of bacillus subtilis lipase: a minimal ALPHA/BETA hydrolase enzyme”. X-ray diffraction, 1 ligand (CD), 1 pocket (best druggability 0.57). MolNFT v1 #9772 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1I6W
- Type
- protein
- Length
- 359 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase a
- EC
- 3.1.1.3
- UniProt
- P37957
- Ligands
- CD
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase a (EC 3.1.1.3) | protein | 179 | 42% helix, 20% strand | P37957 |
| B | Lipase a (EC 3.1.1.3) | protein | 180 | 39% helix, 19% strand | P37957 |
Ligands and binding sites
- CD · Cadmium ion · metal · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.57 | 0.74 | 40 | CD |
Interfaces
1 interface between chains.
- A–B · 139 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1I6W · The crystal structure of bacillus subtilis lipase: a minimal ALPHA/BETA hydrolase enzyme · 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 1I6W · PDBe 1I6W · UniProt P37957
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