MolNFT v1 · #64583 · protein
Crystal structure of a triacylglycerol lipase from penicillium expansum at 1.3
3G7N: “Crystal structure of a triacylglycerol lipase from penicillium expansum at 1.3”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.69). MolNFT v1 #64583 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3G7N
- Type
- protein
- Length
- 511 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase
- EC
- 3.1.1.3
- UniProt
- Q9HFW6
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase (EC 3.1.1.3) | protein | 254 | 31% helix, 26% strand | Q9HFW6 |
| B | Lipase (EC 3.1.1.3) | protein | 257 | 33% helix, 25% strand | Q9HFW6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 837 | 0.69 | 0.75 | 89 | PEG |
| 2 | 185 | 0.49 | 0.76 | 24 | SO4, PEG |
| 3 | 122 | 0.43 | 0.77 | 21 | empty |
| 4 | 57 | 0.30 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 248 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3G7N · Crystal Structure of a Triacylglycerol Lipase from Penicillium Expansum at 1.3 · 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 Q9HFW6
- Elsewhere: RCSB PDB 3G7N · PDBe 3G7N · UniProt Q9HFW6
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