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Ligand · 3P3

3P3 · N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide

3P3, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide (C21 H18 N2 O4, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues…

Component
3P3
Formula
C21 H18 N2 O4
Class
ligand
Structures
8
PDB entries
4

Binding sites

3P3 in 8 structures; the first of them:

  • 3P3C · Crystal Structure of the Aquifex aeolicus LpxC/LPC-009 complex · 3P3 A501 · binds ILE18, HIS19, HIS58, GLU73, HIS74, THR179, PHE180, ALA181 and 12 more
  • 3P3E · Crystal Structure of the PSEUDOMONAS AERUGINOSA LpxC/LPC-009 complex · 3P3 A501 · binds LEU18, MET62, GLU77, HIS78, THR190, PHE191, GLY192, ILE197 and 12 more
  • 3P3G · Crystal Structure of the Escherichia coli LpxC/LPC-009 complex · 3P3 A401 · binds LEU18, MET61, LEU62, CYS63, GLU78, HIS79, THR191, PHE192 and 13 more
  • 4FW4 · Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PRO… · 3P3 A301 · binds LEU18, HIS19, MET62, GLU77, HIS78, THR190, PHE191, GLY192 and 14 more
  • 3P3C · Crystal structure of the aquifex aeolicus LPXC/LPC-009 complex · 3P3 A501 · binds ILE18, HIS19, HIS58, GLU73, HIS74, THR179, PHE180, ALA181 and 12 more
  • 3P3E · Crystal structure of the pseudomonas aeruginosa LPXC/LPC-009 complex · 3P3 A501 · binds LEU18, MET62, GLU77, HIS78, THR190, PHE191, GLY192, ILE197 and 12 more
  • 3P3G · Crystal structure of the escherichia COLI LPXC/LPC-009 complex · 3P3 A401 · binds LEU18, MET61, LEU62, CYS63, GLU78, HIS79, THR191, PHE192 and 13 more
  • 4FW4 · Crystal structure of the lpxc in complex with N-[(1S,2R)-2-hydroxy-1… · 3P3 A301 · binds LEU18, HIS19, MET62, GLU77, HIS78, THR190, PHE191, GLY192 and 14 more

Residues it binds most

HIS 14, LEU 14, ALA 14, GLY 14, VAL 14, MET 12, ILE 14, LYS 14, PHE 14, THR 14 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • UKW · 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
  • NA · Sodium ion
  • NO3 · Nitrate ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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