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Ligand · XJV

XJV · imidazolidin-2-one

XJV, imidazolidin-2-one (C3 H6 N2 O, 86.1 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
XJV
Formula
C3 H6 N2 O
Class
ligand
Structures
7
PDB entries
6

Binding sites

XJV in 7 structures; the first of them:

  • 5S81 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010947a · XJV A510 · binds VAL255, MET256, LEU257, ARG258, HIS318, GLY328, LYS329
  • 7H4R · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · XJV A201 · binds ARG68, ARG69
  • 7H8C · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · XJV A209 · binds ALA22, ASP31, GLY32, VAL33, LEU108, THR111, GLY112
  • 7HII · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · XJV A207 · binds ALA22, ASP31, GLY32, VAL33, PRO107, LEU108, THR111, GLY112
  • 7HIJ · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · XJV A208 · binds ALA22, GLY32, VAL33, PRO107, LEU108, THR111, GLY112
  • 7HIK · Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal… · XJV A208 · binds ALA22, GLY32, VAL33, PRO107, LEU108, THR111, GLY112
  • 5S81 · Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010947A · XJV A510 · binds MET256, LEU257, ARG258, HIS318, GLY328, LYS329

Residues it binds most

GLY 23, ALA 21, VAL 25, LEU 18, THR 17, ASP 16, PRO 14, TYR 8, ARG 8, ASN 8 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • SO4 · Sulfate ion
  • LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
  • MPB · 4-hydroxy-benzoic acid methyl ester
  • W3S · [1,2,4]triazolo[4,3-a]pyridin-3-amine
  • EDO · 1,2-ethanediol
  • TLA · L(+)-tartaric acid
  • A1AP7 · 4-(4-methyl-1H-pyrazol-5-yl)pyridine
  • W3G · pyridazin-3(2H)-one
  • ZN · Zinc ion

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