MolNFT v1 · #154631 · protein
Lipase (blocked form)
6KHL · Hydrolase, ALPHA/BETA domain protein: “Lipase (blocked form)”. X-ray diffraction, 1 ligand (DK0), 4 pockets (best druggability 0.79). MolNFT v1 #154631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KHL
- Type
- protein
- Length
- 619 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase, ALPHA/BETA domain protein
- UniProt
- E6DAE5
- Ligands
- DK0
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydrolase, ALPHA/BETA domain protein | protein | 310 | 43% helix, 17% strand | E6DAE5 |
| B | Hydrolase, ALPHA/BETA domain protein | protein | 309 | 42% helix, 17% strand | E6DAE5 |
Ligands and binding sites
- DK0 · (2~{R})-1-phenylpropan-2-ol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 11 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.79 | 0.91 | 37 | PEG |
| 2 | 180 | 0.74 | 0.90 | 26 | PEG |
| 3 | 217 | 0.70 | 0.86 | 38 | DK0, GOL |
| 4 | 249 | 0.69 | 0.84 | 41 | DK0, GOL |
Interfaces
1 interface between chains.
- A–B · 1193 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6KHL · Lipase (Blocked form) · 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 E6DAE5
- Elsewhere: RCSB PDB 6KHL · PDBe 6KHL · UniProt E6DAE5
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