MolNFT v1 · #65433 · protein
Leucine transporter leut in complex with R-fluoxetine
3GWV: “Leucine transporter leut in complex with R-fluoxetine”. X-ray diffraction, 3 ligands (LEU, RFX, NA), 4 pockets (best druggability 0.68). MolNFT v1 #65433 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GWV
- Type
- protein
- Length
- 498 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter
- UniProt
- O67854
- Ligands
- LEU, RFX, NA
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter | protein | 498 | 78% helix, 1% strand | O67854 |
Ligands and binding sites
- LEU · Leucine · ligand · chains A
- RFX · (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.68 | 0.79 | 47 | RFX |
| 2 | 82 | 0.54 | 0.85 | 14 | empty |
| 3 | 66 | 0.38 | 0.78 | 12 | empty |
| 4 | 77 | 0.33 | 0.74 | 11 | empty |
Compared structures
- 3GWV · Leucine transporter LeuT in complex with R-fluoxetine · 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 O67854
- Elsewhere: RCSB PDB 3GWV · PDBe 3GWV · UniProt O67854
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