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Leucine transporter leut in complex with S-fluoxetine

Analyse Leucine transporter leut in complex with S-fluoxetine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3GWW
Type: protein
Length: 501 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transporter
UniProt: O67854
Ligands: LEU, SFX, NA
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transporter	protein	501	76% helix, 1% strand	O67854

Ligands and binding sites

LEU · Leucine · ligand · chains A
SFX · (3S)-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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	673	0.72	0.79	55	SFX
2	119	0.51	0.81	18	empty
3	77	0.42	0.78	16	empty
4	115	0.39	0.74	15	empty

Compared structures

3GWW · Leucine transporter LeuT in complex with S-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 3GWW · PDBe 3GWW · UniProt O67854

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