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Ligand · GVR

GVR · (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide

GVR, (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide (C23 H20 N2 O4 S, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
GVR
Formula
C23 H20 N2 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

GVR in 4 structures; the first of them:

  • 2VES · Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485… · GVR A1296 · binds LEU18, MET62, SER63, THR75, GLU77, HIS78, ILE102, THR190 and 14 more
  • 4ISA · Crystal Structure of the Escherichia coli LpxC/BB-78485 complex · GVR A402 · binds LEU18, MET61, LEU62, CYS63, THR76, GLU78, HIS79, ILE103 and 15 more
  • 2VES · Crystal structure of lpxc from pseudomonas aeruginosa complexed with the potent bb-78485… · GVR A1296 · binds LEU18, MET62, SER63, THR75, GLU77, HIS78, ILE102, THR190 and 14 more
  • 4ISA · Crystal structure of the escherichia COLI LPXC/BB-78485 complex · GVR A402 · binds LEU18, MET61, LEU62, CYS63, THR76, GLU78, HIS79, ILE103 and 15 more

Residues it binds most

HIS 8, LEU 10, ASP 10, GLY 8, ILE 8, PHE 8, ALA 8, SER 8, THR 8, MET 10 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • D1D · (4S,5S)-1,2-dithiane-4,5-diol
  • SO4 · Sulfate ion
  • FMT · Formic acid

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