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Ligand · 824

824 · 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione

824, 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione (C20 H12 N2 O3, 328.3 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…

Component
824
Formula
C20 H12 N2 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

824 in 6 structures; the first of them:

  • 1X8B · Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 · 824 A901 · binds ILE305, VAL313, ALA326, LYS328, GLU346, VAL360, ILE374, ASN376 and 7 more
  • 2X7F · Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with… · 824 A500 · binds VAL31, GLY32, TYR36, VAL39, ALA52, LYS54, GLU69, ALA83 and 10 more
  • 4C58 · Structure of GAK kinase in complex with nanobody (NbGAK_4) · 824 A1336 · binds LEU46, ALA47, VAL54, ALA67, LYS69, GLU85, MET89, VAL99 and 11 more
  • 1X8B · Structure of human WEE1A kinase: kinase domain complexed with inhibitor PD0407824 · 824 A901 · binds ILE305, VAL313, ALA326, LYS328, GLU346, VAL360, ILE374, ASN376 and 7 more
  • 2X7F · Crystal structure of the kinase domain of human TRAF2- and nck- interacting kinase with… · 824 A500 · binds VAL31, GLY32, TYR36, VAL39, ALA52, LYS54, GLU69, ALA83 and 10 more
  • 4C58 · Structure of gak kinase in complex with nanobody (NBGAK_4) · 824 A1336 · binds LEU46, ALA47, VAL54, ALA67, LYS69, GLU85, MET89, VAL99 and 11 more

Residues it binds most

VAL 14, GLY 14, ALA 14, GLU 14, LEU 12, CYS 14, LYS 14, ASP 14, MET 12, PHE 12 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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