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Ligand · 41K

41K · (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid

41K, (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid (C6 H9 N O4 S, 191.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
41K
Formula
C6 H9 N O4 S
Class
ligand
Structures
7
PDB entries
4

Binding sites

41K in 7 structures; the first of them:

  • 4XKR · Crystal structure of NikA from Staphylococcus aureus in complex with… · 41K A503 · binds ASP28, PHE134, ARG234, ARG325, TYR369, SER370, PHE371, GLY372 and 2 more
  • 5FEP · HydE from T. maritima in complex with (2R,4R)-MeTDA · 41K A409 · binds ILE56, GLN107, LEU157, ARG159, GLY226, PRO266, THR268, THR269 and 4 more
  • 5FEW · HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product) · 41K A412 · binds ILE56, GLN107, LEU157, ARG159, GLY226, THR268, THR269, ALA270 and 3 more
  • 8QML · (2R,4R)-MeTDA bound HydE structure (control experiment) · 41K A402 · binds ILE56, GLN107, LEU157, ARG159, GLY226, PRO266, THR268, THR269 and 4 more
  • 4XKR · Crystal structure of nika from staphylococcus aureus in complex with… · 41K A503 · binds ASP28, PHE134, ARG234, ARG325, TYR369, SER370, PHE371, GLY372 and 2 more
  • 5FEP · Hyde from T. maritima in complex with (2R,4R)-metda · 41K A409 · binds ILE56, GLN107, LEU157, ARG159, GLY226, PRO266, THR268, THR269 and 4 more
  • 5FEW · Hyde from T. maritima in complex with S-adenosyl-L-cysteine (final product) · 41K A412 · binds ILE56, GLN107, LEU157, ARG159, GLY226, THR268, THR269, ALA270 and 3 more

Residues it binds most

LEU 5, THR 5, ARG 7, TYR 7, GLY 7, ILE 7, ALA 5, GLN 5, MET 5, PHE 2 (residue and the binding sites it lines).

Found with

  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • SF4 · Iron/sulfur cluster
  • CL · Chloride ion
  • SAH · S-adenosyl-L-homocysteine
  • 5X8 · S-adenosyl-L-cysteine
  • HIS · Histidine
  • MET · Methionine
  • SAM · S-adenosylmethionine
  • NA · Sodium ion
  • NI · Nickel (II) ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • GOL · Glycerol

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