MolNFT v1 · #159496 · protein
Structure of an acyl intermediate of thermomyces lanuginosa lipase with palmitic acid in an orthorhombic crystal
6OR3: “Structure of an acyl intermediate of thermomyces lanuginosa lipase with palmitic acid in an orthorhombic…”. X-ray diffraction, 3 ligands (PLM, NAG, CA), 1 pocket (best druggability 0.49). MolNFT v1 #159496 on GenesisL1: 3D…
- PDB
- 6OR3
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- O59952
- Ligands
- PLM, NAG, CA
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 269 | 34% helix, 24% strand | O59952 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.49 | 0.77 | 25 | PLM |
Modifications
Observed in the structure: 3 disulfide, 1 glycan, 1 lipid (disulfide, N-glycosylation, palmitoylation).
Compared structures
- 6OR3 · Structure of an Acyl Intermediate of Thermomyces Lanuginosa Lipase With Palmitic Acid in… · the same entry in another collection · chain A against A, TM-score 1.00
- O59952 · AlphaFold monomer V2.0 prediction for lipase (O59952) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O59952
- Elsewhere: RCSB PDB 6OR3 · PDBe 6OR3 · UniProt O59952
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