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Ligand · VXA

VXA · Methylphosphonic acid ester group

VXA, Methylphosphonic acid ester group (C H4 O2 P -1, 79.0 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
VXA
Formula
C H4 O2 P -1
Class
ligand
Structures
10
PDB entries
5

Binding sites

VXA in 10 structures; the first of them:

  • 1ESD · The molecular mechanism of enantiorecognition by esterases · VXA A400 · binds ASP13, SER14, TYR15, GLY65, GLY66, ASN106, LEU127, HIS283
  • 1P0P · Crystal structure of soman-aged human butyryl cholinesterase in complex with the… · VXA A601 · binds GLY115, GLY116, GLY117, SER198, ALA199, TRP231, LEU286, PHE329 and 2 more
  • 1P0Q · Crystal structure of soman-aged human butyryl cholinesterase · VXA A601 · binds GLY115, GLY116, GLY117, SER198, ALA199, TRP231, LEU286, PHE398 and 1 more
  • 1SOM · Torpedo californica acetylcholinesterase inhibited by nerve agent gd (soman). · VXA A1010 · binds GLY117, GLY118, GLY119, SER200, ALA201, TRP233, PHE288, PHE290 and 2 more
  • 1VXO · Methylphosphonylated acetylcholinesterase (aged) obtained by reaction with… · VXA A999 · binds GLY117, GLY118, GLY119, SER200, ALA201, TRP233, PHE288, PHE290 and 2 more
  • 1ESD · The molecular mechanism of enantiorecognition by esterases · VXA A400 · binds ASP13, SER14, TYR15, GLY65, GLY66, ASN106, LEU127, HIS283
  • 1P0P · Crystal structure of soman-aged human butyryl cholinesterase in complex with the… · VXA A601 · binds GLY115, GLY116, GLY117, SER198, ALA199, TRP231, LEU286, PHE329 and 2 more
  • 1P0Q · Crystal structure of soman-aged human butyryl cholinesterase · VXA A601 · binds GLY115, GLY116, GLY117, SER198, ALA199, TRP231, LEU286, PHE398 and 1 more
  • 1SOM · Torpedo californica acetylcholinesterase inhibited by nerve agent gd (soman). · VXA A1010 · binds GLY117, GLY118, GLY119, SER200, ALA201, TRP233, PHE288, PHE290 and 2 more
  • 1VXO · Methylphosphonylated acetylcholinesterase (aged) obtained by reaction with… · VXA A999 · binds GLY117, GLY118, GLY119, SER200, ALA201, TRP233, PHE288, PHE290 and 2 more

Residues it binds most

GLY 10, PHE 8, HIS 10, SER 10, ALA 8, TRP 8, LEU 6, ASN 2, ASP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • FUC · alpha-L-fucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • BCH · 2-(butyrylsulfanyl)-N,N,N-trimethylethanaminium
  • UNX · Unknown atom or ion

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