MolNFT v1 · #58150 · protein
Crystal structure of a lipase from geobacillus sp. sbs-4S
3AUK: “Crystal structure of a lipase from geobacillus sp. sbs-4S”. X-ray diffraction, 3 ligands (ZN, CA, CL), 2 pockets (best druggability 0.54). MolNFT v1 #58150 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3AUK
- Type
- protein
- Length
- 386 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- B9ZZP0
- Ligands
- ZN, CA, CL
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 386 | 39% helix, 16% strand | B9ZZP0 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
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 | 204 | 0.54 | 0.78 | 24 | empty |
| 2 | 68 | 0.28 | 0.73 | 16 | empty |
Compared structures
- 3AUK · Crystal structure of a lipase from Geobacillus sp. SBS-4S · the same entry in another collection · 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 B9ZZP0
- Elsewhere: RCSB PDB 3AUK · PDBe 3AUK · UniProt B9ZZP0
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