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Crystal structure of leut bound to L-leucine (30 mm) and sodium

Analyse Crystal structure of leut bound to L-leucine (30 mm) and sodium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3F3E
Type
protein
Length
509 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transporter
UniProt
O67854
Ligands
LEU, NA
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransporterprotein50978% helix, 1% strandO67854

Ligands and binding sites

  • LEU · Leucine · 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

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16400.710.7853BOG
21040.570.8517empty
3740.410.7814empty
4930.360.7414empty

Compared structures

  • 3F3E · Crystal structure of LeuT bound to L-leucine (30 mM) and sodium · the same entry in another collection · chain A against A, TM-score 1.00

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