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Ligand · YS4

YS4 · [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid)

YS4, [({4-[4-(propan-2-yloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) (C15 H20 N2 O7 P2, 402.3 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues…

Component
YS4
Formula
C15 H20 N2 O7 P2
Class
ligand
Structures
10
PDB entries
5

Binding sites

YS4 in 10 structures; the first of them:

  • 4DEM · Crystal structure of human FPPS in complex with YS_04_70 · YS4 F401 · binds PHE112, PHE113, ALA116, ASP117, ASP118, MET120, ASP121, ARG126 and 11 more
  • 4H5C · Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate · YS4 F401 · binds PHE98, PHE99, ALA102, ASP103, MET106, ASP107, ARG112, THR167 and 10 more
  • 4H5D · Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 13 more
  • 4H5E · Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl… · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 12 more
  • 4LFV · Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic… · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 12 more
  • 4DEM · Crystal structure of human fpps in complex with YS_04_70 · YS4 F401 · binds PHE112, PHE113, ALA116, ASP117, ASP118, MET120, ASP121, ARG126 and 11 more
  • 4H5C · Crystal structure of human fpps in ternary complex with YS0470 and inorganic phosphate · YS4 F401 · binds PHE98, PHE99, ALA102, ASP103, MET106, ASP107, ARG112, THR167 and 10 more
  • 4H5D · Crystal structure of human fpps in ternary complex with YS0470 and inorganic pyrophosphate · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 13 more
  • 4H5E · Crystal structure of human fpps in ternary complex with YS0470 and isopentenyl… · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 12 more
  • 4LFV · Crystal structure of human fpps in complex with YS0470 and two molecules of inorganic… · YS4 F401 · binds PHE98, PHE99, LEU100, ALA102, ASP103, ASP104, MET106, ASP107 and 12 more

Residues it binds most

ASP 10, GLN 10, LYS 10, PHE 10, THR 10, ALA 10, ARG 10, GLU 10, MET 10, TYR 10 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion
  • IPR · Isopentyl pyrophosphate
  • POP · Pyrophosphate 2-
  • CL · Chloride ion

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