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Ligand · HCC

HCC · 2',4,4'-trihydroxychalcone

HCC, 2',4,4'-trihydroxychalcone (C15 H12 O4, 256.3 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
HCC
Formula
C15 H12 O4
Class
ligand
Structures
7
PDB entries
4

Binding sites

HCC in 7 structures; the first of them:

  • 5YX4 · Isoliquiritigenin-complexed Chalcone isomerase (S189A) from the Antarctic vascular plant… · HCC A301 · binds ARG34, MET36, ILE38, PHE45, LEU100, GLN104, TYR105, LYS108
  • 6AJV · Crystal structure of BRD4 in complex with isoliquiritigenin and DMSO (Cocktail No. 3) · HCC A202 · binds TRP81, PRO82, GLN85, PRO86, VAL87, ASP88, LYS91, LEU92 and 2 more
  • 6AJX · Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of DMSO · HCC A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, ASN135 and 4 more
  • 9INV · Crystal structure of DAPK1 in complex with isoliquiritigenin · HCC A301 · binds LEU19, GLY20, SER21, GLY22, ALA25, VAL27, ALA40, LYS42 and 8 more
  • 5YX4 · Isoliquiritigenin-complexed chalcone isomerase (S189A) from the antarctic vascular plant… · HCC A301 · binds ARG34, PHE45, LEU100, GLN104, TYR105, LYS108
  • 6AJV · Crystal structure of BRD4 in complex with isoliquiritigenin and dmso (cocktail no. 3) · HCC A202 · binds TRP81, PRO82, GLN85, PRO86, VAL87, ASP88, LYS91, LEU92 and 2 more
  • 6AJX · Crystal structure of BRD4 in complex with isoliquiritigenin in the absence of dmso · HCC A201 · binds TRP81, PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, ASN135 and 3 more

Residues it binds most

LEU 7, ILE 6, PRO 4, VAL 5, ASP 3, LYS 5, TYR 4, ASN 2, GLN 4, PHE 4 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion

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