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Ligand · CBW

CBW · (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid

CBW, (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid (C30 H46 O4, 470.7 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…

Component
CBW
Formula
C30 H46 O4
Class
ligand
Structures
6
PDB entries
3

Binding sites

CBW in 6 structures; the first of them:

  • 2W4Q · Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary… · CBW A1350 · binds TYR51, CYS54, TYR64, ILE65, PHE99, TYR100, MET135, CYS253 and 8 more
  • 4PV5 · Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid · CBW A202 · binds ARG123, HIS127, VAL150, LYS151, ASP155, GLY156, PHE163, TRP171 and 6 more
  • 5C71 · The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid… · CBW A701 · binds ASP414, VAL447, GLY448, LEU449, TYR469, TYR473, THR474, ASP505
  • 2W4Q · Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary… · CBW A1350 · binds TYR51, CYS54, TYR64, ILE65, PHE99, TYR100, MET135, CYS253 and 8 more
  • 4PV5 · Crystal structure of mouse glyoxalase I in complexed with 18-beta- glycyrrhetinic acid · CBW A202 · binds ARG123, HIS127, VAL150, LYS151, ASP155, GLY156, PHE163, TRP171 and 6 more
  • 5C71 · The structure of aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid… · CBW A701 · binds ASP414, VAL447, GLY448, LEU449, TYR469, TYR473, THR474, ASP505

Residues it binds most

TYR 6, PHE 6, ASP 6, GLY 10, LEU 8, VAL 10, MET 6, THR 8, ILE 4, ARG 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ZN · Zinc ion
  • GCU · alpha-D-glucopyranuronic acid
  • SO4 · Sulfate ion

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