MolNFT v1 · #75058 · protein
E. COLI fadl ASP348ALA mutant
3PF1 · Long-chain fatty acid transport protein: “E. COLI fadl ASP348ALA mutant”. X-ray diffraction, 8 pockets (best druggability 0.82). MolNFT v1 #75058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3PF1
- Type
- protein
- Length
- 848 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long-chain fatty acid transport protein
- UniProt
- P10384
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Long-chain fatty acid transport protein | protein | 424 | 13% helix, 54% strand | P10384 |
Ligands and binding sites
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 8 copies · chains A, B
- LDA · Lauryl dimethylamine-N-oxide · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.82 | 0.97 | 32 | C8E |
| 2 | 162 | 0.81 | 0.96 | 30 | C8E |
| 3 | 352 | 0.78 | 0.88 | 46 | empty |
| 4 | 369 | 0.76 | 0.86 | 46 | C8E |
| 5 | 974 | 0.76 | 0.78 | 83 | C8E, LDA |
Interfaces
1 interface between chains.
- A–B · 478 Ų buried · 2 hydrogen bonds · protein-protein
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 P10384
- Elsewhere: RCSB PDB 3PF1 · PDBe 3PF1 · UniProt P10384
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