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Ligand · IN5

IN5 · {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid

IN5, {1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic acid (C10 H18 N2 O8 P2, 356.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its…

Component
IN5
Formula
C10 H18 N2 O8 P2
Class
ligand
Structures
8
PDB entries
4

Binding sites

IN5 in 8 structures; the first of them:

  • 1BD0 · Alanine racemase complexed with alanine phosphonate · IN5 A389 · binds VAL37, LYS39, TYR43, LEU85, ARG136, TYR164, HIS166, ASN203 and 11 more
  • 2VD9 · The crystal structure of alanine racemase from Bacillus anthracis (BA0252) with bound… · IN5 A1394 · binds VAL39, LYS41, TYR45, LEU87, ARG138, TYR166, HIS168, ASN208 and 11 more
  • 4ITX · P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P · IN5 A401 · binds CYS85, GLY86, ALA87, TYR111, GLU154, SER158, ASP185, THR187 and 9 more
  • 4XBJ · Y274F alanine racemase from E. coli inhibited by l-ala-p · IN5 A401 · binds VAL32, LYS34, TYR38, LEU78, LYS122, ARG129, HIS159, ALA193 and 11 more
  • 1BD0 · Alanine racemase complexed with alanine phosphonate · IN5 A389 · binds VAL37, LYS39, TYR43, LEU85, ARG136, TYR164, HIS166, ASN203 and 11 more
  • 2VD9 · The crystal structure of alanine racemase from bacillus anthracis (BA0252) with bound… · IN5 A1394 · binds VAL39, LYS41, TYR45, LEU87, ARG138, TYR166, HIS168, ASN208 and 11 more
  • 4ITX · P113S mutant of E. COLI cystathionine beta-lyase metc inhibited by reaction with L-ala-P · IN5 A401 · binds CYS85, GLY86, ALA87, TYR111, GLU154, SER158, ASP185, THR187 and 9 more
  • 4XBJ · Y274F alanine racemase from E. COLI inhibited by L-ala-P · IN5 A401 · binds VAL32, LYS34, TYR38, LEU78, LYS122, ARG129, HIS159, ALA193 and 11 more

Residues it binds most

TYR 18, ARG 18, LYS 18, SER 18, ALA 10, ILE 16, ASP 18, GLY 18, MET 18, LEU 16 (residue and the binding sites it lines).

Found with

  • EPC · (1S)-1-[((1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylene)amino]ethylphosphonic acid
  • CA · Calcium ion
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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