MolNFT v1 · #8174 · protein
S146A mutant of thermomyces (humicola) lanuginosa lipase complex with oleic acid
1GT6: “S146A mutant of thermomyces (humicola) lanuginosa lipase complex with oleic acid”. X-ray diffraction, 1 ligand (OLA), 4 pockets (best druggability 0.56). MolNFT v1 #8174 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1GT6
- Type
- protein
- Length
- 538 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- O59952
- Ligands
- OLA
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase (EC 3.1.1.3) | protein | 269 | 34% helix, 24% strand | O59952 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.56 | 0.75 | 47 | empty |
| 2 | 139 | 0.54 | 0.81 | 27 | OLA |
| 3 | 148 | 0.52 | 0.79 | 27 | OLA |
| 4 | 100 | 0.42 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 427 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
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 O59952
- Elsewhere: RCSB PDB 1GT6 · PDBe 1GT6 · UniProt O59952
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