MolNFT v1 · #91672 · protein
An organic solvent tolerant lipase 42
4FKB · Thermostable organic solvent tolerant lipase: “An organic solvent tolerant lipase 42”. X-ray diffraction, 4 ligands (NA, ZN, CA), 4 pockets (best druggability 0.71). MolNFT v1 #91672 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4FKB
- Type
- protein
- Length
- 774 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thermostable organic solvent tolerant lipase
- EC
- 3.1.1.3
- UniProt
- Q5U780
- Ligands
- NA, ZN, CA, CL
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Thermostable organic solvent tolerant lipase (EC 3.1.1.3) | protein | 387 | 39% helix, 15% strand | Q5U780 |
Ligands and binding sites
- NA · Sodium ion · metal · 9 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 10 copies · chains A, B
- GOL · Glycerol · additive · 21 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.71 | 0.77 | 69 | GOL, NA |
| 2 | 201 | 0.55 | 0.78 | 23 | GOL |
| 3 | 83 | 0.31 | 0.73 | 17 | GOL |
| 4 | 77 | 0.30 | 0.73 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 437 Ų buried · 3 hydrogen bonds · 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 Q5U780
- Elsewhere: RCSB PDB 4FKB · PDBe 4FKB · UniProt Q5U780
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