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Ligand · KML

KML · pinocembrin

KML, pinocembrin (C15 H12 O4, 256.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
KML
Formula
C15 H12 O4
Class
ligand
Structures
6
PDB entries
3

Binding sites

KML in 6 structures; the first of them:

  • 7YJ8 · Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with… · KML A501 · binds THR136, SER137, GLY167, CYS168, GLU196, ILE197, THR198, ILE200 and 14 more
  • 7YJA · Crystal structure of Stenoloma chusanum chalcone synthase 1 (ScCHS1) complex with CoA and… · KML A501 · binds THR136, SER137, GLY167, CYS168, GLU196, ILE197, THR198, ILE200 and 16 more
  • 8A0R · Crystal structure of poplar glutathione transferase U20 in complex with pinocembrin · KML A301 · binds VAL11, SER12, PRO13, PHE14, THR104, PHE107, LEU157, PHE158 and 5 more
  • 7YJ8 · Crystal structure of stenoloma chusanum chalcone synthase 1 (SCCHS1) complex with… · KML A501 · binds THR136, SER137, GLY167, CYS168, GLU196, ILE197, THR198, ILE200 and 14 more
  • 7YJA · Crystal structure of stenoloma chusanum chalcone synthase 1 (SCCHS1) complex with CoA and… · KML A501 · binds THR136, SER137, GLY167, CYS168, GLU196, ILE197, THR198, ILE200 and 16 more
  • 8A0R · Crystal structure of poplar glutathione transferase U20 in complex with pinocembrin · KML A301 · binds VAL11, SER12, PRO13, PHE14, THR104, PHE107, LEU157, PHE158 and 5 more

Residues it binds most

THR 8, GLY 6, ILE 8, PHE 8, SER 8, ASP 6, LEU 8, MET 6, PRO 8, ASN 6 (residue and the binding sites it lines).

Found with

  • COA · Coenzyme A
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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