MolNFT v1 · #154977 · protein
Staphylococcus aureus lipase - S116A inactive mutant
6KSL · Lipase 2: “Staphylococcus aureus lipase - S116A inactive mutant”. X-ray diffraction, 4 ligands (DAO, BUA, ZN), 9 pockets (best druggability 0.73). MolNFT v1 #154977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KSL
- Type
- protein
- Length
- 764 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase 2
- EC
- 3.1.1.3
- UniProt
- A0A0U1MWF9
- Ligands
- DAO, BUA, ZN, CA
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase 2 (EC 3.1.1.3) | protein | 382 | 37% helix, 14% strand | A0A0U1MWF9 |
Ligands and binding sites
- DAO · Lauric acid · ligand · 3 copies · chains A, B
- BUA · butanoic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 496 | 0.73 | 0.81 | 42 | DAO, BUA |
| 2 | 477 | 0.71 | 0.80 | 44 | DAO |
| 3 | 196 | 0.61 | 0.82 | 25 | empty |
| 4 | 268 | 0.60 | 0.79 | 35 | empty |
| 5 | 184 | 0.59 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 528 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6KSL · Staphylococcus aureus lipase - S116A inactive mutant · 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 A0A0U1MWF9
- Elsewhere: RCSB PDB 6KSL · PDBe 6KSL · UniProt A0A0U1MWF9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.