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Ligand · BA1

BA1 · Balanol

BA1, Balanol (C28 H26 N2 O10, 550.5 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
BA1
Formula
C28 H26 N2 O10
Class
ligand
Structures
6
PDB entries
3

Binding sites

BA1 in 6 structures; the first of them:

  • 1BX6 · Crystal structure of the potent natural product inhibitor balanol in complex with the… · BA1 A351 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 19 more
  • 3KRW · Human GRK2 in complex with Gbetgamma subunits and balanol (soak) · BA1 A690 · binds ILE197, GLY198, ARG199, GLY200, GLY201, PHE202, GLY203, GLU204 and 16 more
  • 3KRX · Human GRK2 in complex with Gbetgamma subunits and balanol (co-crystal) · BA1 A690 · binds ILE197, GLY198, ARG199, GLY200, GLY201, PHE202, GLY203, GLU204 and 17 more
  • 1BX6 · Crystal structure of the potent natural product inhibitor balanol in complex with the… · BA1 A351 · binds LEU49, GLY50, THR51, GLY52, SER53, PHE54, GLY55, ARG56 and 19 more
  • 3KRW · Human GRK2 in complex with gbetgamma subunits and balanol (soak) · BA1 A690 · binds ILE197, GLY198, ARG199, GLY200, GLY201, PHE202, GLY203, GLU204 and 16 more
  • 3KRX · Human GRK2 in complex with gbetgamma subunits and balanol (co-crystal) · BA1 A690 · binds ILE197, GLY198, ARG199, GLY200, GLY201, PHE202, GLY203, GLU204 and 17 more

Residues it binds most

GLY 6, LEU 6, GLU 6, ASP 6, VAL 6, ALA 6, PHE 6, ARG 6, ASN 6, LYS 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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