MolNFT v1 · #63227 · protein

Crystal structure of leut bound to L-tryptophan and sodium

3F3A · Transporter: “Crystal structure of leut bound to L-tryptophan and sodium”. X-ray diffraction, 3 ligands (TRP, C14, NA), 5 pockets (best druggability 0.76). MolNFT v1 #63227 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3F3A
Type: protein
Length: 504 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transporter
UniProt: O67854
Ligands: TRP, C14, NA
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transporter	protein	504	79% helix, 1% strand	O67854

Ligands and binding sites

TRP · Tryptophan · ligand · 4 copies · chains A
C14 · Tetradecane · ligand · chains A
NA · Sodium ion · metal · 2 copies · chains A
BOG · octyl beta-D-glucopyranoside · additive · 7 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 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	767	0.76	0.80	70	TRP, C14, BOG
2	78	0.51	0.84	17	empty
3	81	0.45	0.80	15	empty
4	71	0.36	0.77	15	TRP
5	59	0.30	0.74	13	empty

Compared structures

3F3A · Crystal Structure of LeuT bound to L-Tryptophan and Sodium · 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 3F3A · PDBe 3F3A · UniProt O67854

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