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Ligand · BAL

BAL · Beta-alanine

BAL, Beta-alanine (C3 H7 N O2, 89.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
BAL
Formula
C3 H7 N O2
Class
ligand
Structures
4
PDB entries
4

Binding sites

BAL in 4 structures; the first of them:

  • 6L8A · Tetrathionate hydrolase from Acidithiobacillus ferrooxidans · BAL C504 · binds THR271, GLY307, HIS308, ILE309, HIS458, GLN459
  • 7Y12 · Cryo-EM structure of MrgD-Gi complex with beta-alanine · BAL R1001 · binds ARG103, CYS164, CYS175, ASP179, TRP241, TYR245, TRP246
  • 7Y14 · Cryo-EM structure of MrgD-Gi complex with beta-alanine (local) · BAL R1001 · binds ARG103, CYS164, CYS175, ASP179, TRP241, TYR245, TRP246
  • 8I7Z · The crystal structure of human abl1 kinase domain in complex with ABL1-B5 · BAL A602 · binds LYS271, MET278, PHE283, GLU286, ILE313, PHE382

Residues it binds most

TRP 3, CYS 2, ILE 3, ARG 3, ASP 3, HIS 2, TYR 3, ALA 2, LEU 1, MET 2 (residue and the binding sites it lines).

Found with

  • PLM · Palmitic acid
  • 6CI · 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide
  • GLY · Glycine
  • SO4 · Sulfate ion

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