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Ligand · OVV

OVV · 3-methylbenzoic acid

OVV, 3-methylbenzoic acid (C8 H8 O2, 136.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
OVV
Formula
C8 H8 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

OVV in 3 structures; the first of them:

  • 6PQW · The crystal structure of 3-methylbenzoate-bound CYP199A4 · OVV A501 · binds ARG92, SER95, ILE97, LEU98, VAL181, PHE182, PHE185, SER244 and 3 more
  • 7ZT8 · Structure of E8 TCR in complex in human MR1 bound to 3FBA · OVV A301 · binds TYR7, PHE8, ARG9, SER24, THR34, LYS43, TYR62, LEU66 and 3 more
  • 6PQW · The crystal structure of 3-methylbenzoate-bound CYP199A4 · OVV A501 · binds ARG92, SER95, ILE97, LEU98, VAL181, PHE182, PHE185, SER244 and 3 more

Residues it binds most

PHE 3, SER 3, ARG 3, ILE 3, LEU 3, ALA 2, TYR 1, VAL 2, LYS 1, THR 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • MPO · 3[N-morpholino]propane sulfonic acid

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