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Ligand · C2U

C2U · 3,5-dichloro-2-hydroxybenzoic acid

C2U, 3,5-dichloro-2-hydroxybenzoic acid (C7 H4 Cl2 O3, 207.0 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 binds most and the ligands…

Component
C2U
Formula
C7 H4 Cl2 O3
Class
ligand
Structures
6
PDB entries
3

Binding sites

C2U in 6 structures; the first of them:

  • 3C3U · Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid · C2U A351 · binds TYR24, LEU54, TYR55, TRP86, HIS117, HIS222, GLU224, TRP227 and 3 more
  • 3CV7 · Crystal structure of porcine aldehyde reductase ternary complex · C2U A371 · binds TRP22, ILE49, TYR50, TRP82, HIS113, TRP114, PHE125, ARG312
  • 3GUG · Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic… · C2U A351 · binds TYR24, LEU54, TYR55, TRP86, HIS117, HIS222, GLU224, TRP227 and 2 more
  • 3C3U · Crystal structure of AKR1C1 in complex with NADP and 3,5- dichlorosalicylic acid · C2U A351 · binds TYR24, LEU54, TYR55, TRP86, HIS117, HIS222, GLU224, TRP227 and 3 more
  • 3CV7 · Crystal structure of porcine aldehyde reductase ternary complex · C2U A371 · binds TRP22, ILE49, TYR50, TRP82, HIS113, TRP114, PHE125, ARG312
  • 3GUG · Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5- dichlorosalicylic… · C2U A351 · binds TYR24, LEU54, TYR55, TRP86, HIS117, HIS222, GLU224, TRP227 and 2 more

Residues it binds most

TRP 6, HIS 6, LEU 4, TYR 6, GLU 4, PHE 4, ARG 2, ILE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • ZN · Zinc ion
  • SO4 · Sulfate ion

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