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Ligand · GBJ

GBJ · 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

GBJ, 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol (C20 H20 O4, 324.4 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
GBJ
Formula
C20 H20 O4
Class
ligand
Structures
5
PDB entries
3

Binding sites

GBJ in 5 structures; the first of them:

  • 4N86 · Crystal structure of human transthyretin complexed with glabridin · GBJ A201 · binds LYS15, LEU17, GLU54, ALA108, ALA109, LEU110, SER117
  • 4N87 · Crystal structure of V30M mutant human transthyretin complexed with glabridin · GBJ A201 · binds LYS15, LEU17, GLU54, ALA108, ALA109, LEU110, SER117
  • 7E4C · Crystal structure of MIF bound to compound11 · GBJ B205 · binds PHE49, ASP92, TYR95, GLN35, TYR36, TRP108, PHE113
  • 4N86 · Crystal structure of human transthyretin complexed with glabridin · GBJ A201 · binds LYS15, LEU17, GLU54, ALA108, ALA109, LEU110, SER117
  • 4N87 · Crystal structure of V30M mutant human transthyretin complexed with glabridin · GBJ A201 · binds LYS15, LEU17, GLU54, ALA108, ALA109, LEU110, SER117

Residues it binds most

ALA 8, LEU 8, LYS 8, SER 8, GLU 6, THR 4, PHE 1, TYR 1, ASP 1, GLN 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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