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Ligand · S3P

S3P · Shikimate-3-phosphate

S3P, Shikimate-3-phosphate (C7 H11 O8 P, 254.1 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
S3P
Formula
C7 H11 O8 P
Class
ligand
Structures
11
PDB entries
9

Binding sites

S3P in 11 structures; the first of them:

  • 7TBU · Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (EPSPS) domain of… · S3P A902 · binds SER411, ARG415, PHE489, SER564, SER565, GLN566, SER593, TYR596
  • 7TM6 · Crystal structure of shikimate-3-phosphate and glyphosate bound 3-phosphoshikimate… · S3P A501 · binds LYS22, SER23, ARG27, THR97, VAL168, SER169, SER170, GLN171 and 6 more
  • 8UMJ · Wild type EPSP synthase complexed with glyphosate and shikimate-3-phosphate · S3P A502 · binds LYS24, SER25, ARG29, THR102, ILE177, SER178, SER179, GLN180 and 7 more
  • 8UMK · EPSPS TIPS variant complexed with glyphosate and shikimate-3-phosphate · S3P A501 · binds LYS24, SER25, ARG29, ILE102, ILE177, SER178, SER179, GLN180 and 7 more
  • 8UML · EPSPS TIPS P126S variant complexed with glyphosate and shikimate-3-phosphate · S3P A501 · binds LYS24, SER25, ARG29, ILE102, ILE177, SER178, SER179, GLN180 and 7 more
  • 8UMM · EPSPS TIPS K296R variant complexed with glyphosate and shikimate-3-phosphate · S3P A501 · binds LYS24, SER25, ARG29, ILE102, ILE177, SER178, SER179, GLN180 and 7 more
  • 8UMN · EPSPS TIPS P126S K296R variant complexed with glyphosate and shikimate-3-phosphate · S3P A501 · binds LYS24, SER25, ARG29, ILE102, ILE177, SER178, SER179, GLN180 and 7 more
  • 8X5S · Crystal structure of shikimate kinase of Mycobacterium tuberculosis complex with… · S3P A201 · binds GLY9, LEU10, PRO11, LYS15, ASP34, ILE45, PHE49, PHE57 and 9 more
  • 7TBU · Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (epsps) domain of… · S3P A902 · binds SER411, ARG415, SER564, SER565, GLN566, SER593, TYR596
  • 7TM5 · Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1… · S3P A501 · binds LYS22, SER23, ARG27, THR97, SER169, SER170, GLN171, SER197 and 4 more
  • 7TM6 · Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate… · S3P A501 · binds LYS22, SER23, ARG27, THR97, SER169, SER170, GLN171, SER197 and 4 more

Residues it binds most

SER 20, LYS 19, ILE 11, ARG 21, GLN 20, TYR 20, ASP 17, PRO 13, THR 8, ASN 6 (residue and the binding sites it lines).

Found with

  • GPJ · Glyphosate
  • 1PE · Pentaethylene glycol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • NO3 · Nitrate ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • FMT · Formic acid

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