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Ligand · MDN

MDN · Methylenediphosphonic acid

MDN, Methylenediphosphonic acid (C H6 O6 P2, 176.0 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
MDN
Formula
C H6 O6 P2
Class
ligand
Structures
5
PDB entries
4

Binding sites

MDN in 5 structures; the first of them:

  • 5YSP · Pyrophosphate-dependent kinase in the ribokinase family complexed with a pyrophosphate… · MDN A302 · binds LYS171, ASP173, THR204, THR230, GLY231, ARG232, GLY233, ASP234
  • 5TLH · Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor… · MDN A402 · binds ASP33, SER38, LYS107, LYS146, ARG148
  • 5YSP · Pyrophosphate-dependent kinase in the ribokinase family complexed with a pyrophosphate… · MDN A302 · binds LYS171, ASP173, THR204, THR230, GLY231, ARG232, GLY233, ASP234
  • 6S83 · Crystal structure of methionine adenosyltransferase from pyrococcus furiosus in complex… · MDN A501 · binds LYS26, HIS30, ASP32, LYS200, ARG286, SAM503, ASP63, GLN64 and 4 more
  • 7E4L · Conversion of pyrophosphate-dependent myo-inositol-1 kinase into myo- inositol-3 kinase… · MDN A301 · binds LYS171, ASP173, THR204, ARG229, THR230, GLY231, ARG232, GLY233 and 1 more

Residues it binds most

LYS 12, ASP 11, ARG 12, GLY 4, HIS 4, SER 6, THR 4, GLU 4, SAM 2, GLN 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • INS · 1,2,3,4,5,6-hexahydroxy-cyclohexane
  • SO4 · Sulfate ion
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • RD2 · [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
  • PO4 · Phosphate ion
  • GOL · Glycerol

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