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Ligand · 0VJ

0VJ · 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione

0VJ, 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione (C18 H14 O4, 294.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
0VJ
Formula
C18 H14 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

0VJ in 2 structures; the first of them:

  • 4FZB · Structure of thymidylate synthase ThyX complexed to a new inhibitor · 0VJ A303 · binds ALA74, GLN75, ARG78, ARG182, GLY186, THR187, GLN188, GLU86 and 5 more
  • 4FZB · Structure of thymidylate synthase thyx complexed to a new inhibitor · 0VJ A303 · binds ALA74, GLN75, ARG78, ARG182, GLY186, THR187, GLN188, GLU86 and 5 more

Residues it binds most

ARG 32, GLN 32, GLU 32, GLY 32, PHE 32, SER 32, THR 32, ALA 20 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • DMS · Dimethyl sulfoxide

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