MolNFT v1 · #75118 · protein
PHE3GLY mutant of ecfadl
3PGS · Long-chain fatty acid transport protein: “PHE3GLY mutant of ecfadl”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.82). MolNFT v1 #75118 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3PGS
- Type
- protein
- Length
- 853 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long-chain fatty acid transport protein
- UniProt
- P10384
- Ligands
- CA
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Long-chain fatty acid transport protein | protein | 427 | 12% helix, 54% strand | P10384 |
| B | Long-chain fatty acid transport protein | protein | 426 | 12% helix, 54% strand | P10384 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 13 copies · chains A, B
- LDA · Lauryl dimethylamine-N-oxide · additive · 9 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- 2PE · Nonaethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.82 | 0.97 | 34 | C8E |
| 2 | 169 | 0.81 | 0.96 | 34 | C8E |
| 3 | 357 | 0.78 | 0.88 | 47 | C8E, ACT |
| 4 | 341 | 0.77 | 0.87 | 49 | C8E, ACT |
| 5 | 1030 | 0.77 | 0.79 | 89 | C8E, LDA |
Interfaces
1 interface between chains.
- A–B · 525 Ų buried · 5 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 3PGS · PDBe 3PGS · UniProt P10384
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