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MolNFT v1 · #63256 · protein

Crystal structure of leut bound to L-alanine and sodium

3F48 · Transporter: “Crystal structure of leut bound to L-alanine and sodium”. X-ray diffraction, 2 ligands (ALA, NA), 4 pockets (best druggability 0.72). MolNFT v1 #63256 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3F48
Type
protein
Length
509 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transporter
UniProt
O67854
Ligands
ALA, NA
Pockets
4 · best druggability 0.72

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransporterprotein50978% helix, 1% strandO67854

Ligands and binding sites

  • ALA · Alanine · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · 6 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16270.720.7950BOG
21020.480.8018empty
3760.420.7813empty
4780.350.7511empty

Compared structures

  • 3F48 · Crystal structure of LeuT bound to L-alanine and sodium · the same entry in another collection · chain A against A, TM-score 1.00

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