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Ligand · XB2

XB2 · 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione

XB2, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione (C15 H19 N3 O2, 273.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
XB2
Formula
C15 H19 N3 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

XB2 in 2 structures; the first of them:

  • 8QYQ · Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten · XB2 A1004 · binds TYR164, THR167, ASP168, HIS666, PRO710, ASN711, ARG712, ILE713 and 4 more
  • 8QYR · Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten · XB2 B801 · binds LEU120, GLN163, TYR164, THR167, ASP168, GLU170, HIS666, PRO710 and 7 more

Residues it binds most

ARG 3, TYR 3, GLU 3, LEU 3, ASN 3, ASP 3, HIS 3, ILE 3, PRO 3, THR 3 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • BEF · Beryllium trifluoride ion
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid
  • GOL · Glycerol

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