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Ligand · JD5

JD5 · [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)

JD5, [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) (C15 H18 N2 O7 P2, 400.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
JD5
Formula
C15 H18 N2 O7 P2
Class
ligand
Structures
6
PDB entries
3

Binding sites

JD5 in 6 structures; the first of them:

  • 4NFI · Crystal structure of human FPPS in complex with magnesium and JDS05120 · JD5 F401 · binds PHE98, PHE99, ALA102, ASP103, ASP104, MET106, ASP107, ARG112 and 11 more
  • 4NFJ · Crystal structure of human FPPS in complex with magnesium, JDS05120, and sulfate · JD5 F401 · binds PHE98, PHE99, ALA102, ASP103, MET106, ASP107, ARG112, THR167 and 11 more
  • 4NFK · Crystal structure of human FPPS in complex with nickel, JDS05120, and sulfate · JD5 F404 · binds PHE98, PHE99, ALA102, ASP103, ASP104, MET106, ASP107, ARG112 and 12 more
  • 4NFI · Crystal structure of human fpps in complex with magnesium and JDS05120 · JD5 F401 · binds PHE98, PHE99, ALA102, ASP103, ASP104, MET106, ASP107, ARG112 and 11 more
  • 4NFJ · Crystal structure of human fpps in complex with magnesium, JDS05120, and sulfate · JD5 F401 · binds PHE98, PHE99, ALA102, ASP103, MET106, ASP107, ARG112, THR167 and 11 more
  • 4NFK · Crystal structure of human fpps in complex with nickel, JDS05120, and sulfate · JD5 F404 · binds PHE98, PHE99, ALA102, ASP103, ASP104, MET106, ASP107, ARG112 and 12 more

Residues it binds most

ASP 6, GLN 6, LYS 6, PHE 6, THR 6, ALA 6, ARG 6, GLU 6, MET 6, TYR 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • NI · Nickel (II) ion

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