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Ligand · DBQ

DBQ · Debromohymenialdisine

DBQ, Debromohymenialdisine (C11 H11 N5 O2, 245.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
DBQ
Formula
C11 H11 N5 O2
Class
ligand
Structures
4
PDB entries
4

Binding sites

DBQ in 4 structures; the first of them:

  • 1U4D · Structure of the ACK1 Kinase Domain bound to Debromohymenialdisine · DBQ A398 · binds LEU132, ASP134, GLY135, VAL140, ALA156, LYS158, ILE190, THR205 and 6 more
  • 1Z57 · Crystal structure of human CLK1 in complex with 10Z-Hymenialdisine · DBQ A1 · binds LEU167, PHE172, VAL175, ALA189, LYS191, GLU206, VAL225, PHE241 and 8 more
  • 2C3J · Identification of a buried pocket for potent and selective inhibition of Chk1: prediction… · DBQ A1271 · binds LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85, TYR86 and 6 more
  • 2CN8 · Crystal structure of human Chk2 in complex with debromohymenialdisine · DBQ A1506 · binds LEU226, VAL234, ALA247, LYS249, ILE286, LEU301, GLU302, LEU303 and 7 more

Residues it binds most

LEU 5, GLU 5, VAL 5, ALA 5, ASP 5, ASN 5, LYS 5, ILE 3, THR 3, GLY 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • NO3 · Nitrate ion
  • SO3 · Sulfite ion

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