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Ligand · MPB

MPB · 4-hydroxy-benzoic acid methyl ester

MPB, 4-hydroxy-benzoic acid methyl ester (C8 H8 O3, 152.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
MPB
Formula
C8 H8 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

MPB in 4 structures; the first of them:

  • 7CIA · Crystal structure of P.aeruginosa LpxC in complex with inhibitor · MPB A1300 · binds ALA84, GLY85, PHE152, PHE176, ILE243, LEU246, TYR247, SER252 and 3 more
  • 7DQU · E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate · MPB A302 · binds VAL43, ASN46, ALA47, GLU50, VAL71, GLN72, ASP73, ILE78 and 4 more
  • 7CIA · Crystal structure of P.AERUGINOSA lpxc in complex with inhibitor · MPB A1300 · binds ALA84, PHE152, PHE176, ILE243, LEU246, TYR247, SER252, LEU253 and 2 more
  • 7DQU · E. COLI gyrb ATPase domain in complex with methyl 4-hydroxybenzoate · MPB A302 · binds VAL43, ASN46, ALA47, GLU50, VAL71, GLN72, ASP73, ILE78 and 3 more

Residues it binds most

VAL 6, ILE 8, ALA 8, PHE 4, LEU 3, THR 6, GLY 3, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).

Found with

  • AX7 · 1H-benzimidazol-2-amine
  • ZN · Zinc ion
  • PO4 · Phosphate ion

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