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Ligand · TPW

TPW · 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate

TPW, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate (C13 H19 N3 O7 P2 S, 423.3 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (10 PDB entries). Every binding site with…

Component
TPW
Formula
C13 H19 N3 O7 P2 S
Class
ligand
Structures
20
PDB entries
10

Binding sites

TPW in 20 structures; the first of them:

  • 2JI6 · X-ray structure of Oxalyl-CoA decarboxylase in complex with 3-deaza- ThDP and oxalyl-CoA · TPW A1566 · binds TYR377, GLY400, ALA401, ASN402, ALA403, GLY426, VAL427, MET428 and 18 more
  • 2JI9 · X-ray structure of Oxalyl-CoA decarboxylase in complex with 3-deaza- ThDP · TPW A1554 · binds TYR377, GLY400, ALA401, ASN402, ALA403, GLY426, VAL427, MET428 and 19 more
  • 2Q5J · X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP · TPW A1002 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 19 more
  • 2Q5O · X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP and… · TPW A2002 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 18 more
  • 2Q5Q · X-ray structure of phenylpyruvate decarboxylase in complex with 3-deaza-ThDP and… · TPW A2002 · binds ASN81, MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404 and 19 more
  • 3DV0 · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · TPW A1370 · binds GLN81, TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173 and 15 more
  • 3DVA · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · TPW A1370 · binds TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173, GLY174 and 15 more
  • 7PT1 · Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with substrate… · TPW A701 · binds GLY409, GLY410, ASP411, LEU412, GLY433, LEU435, GLY459, ASP460 and 18 more
  • 7PT2 · Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493Q structure in complex with… · TPW A701 · binds GLY409, GLY410, ASP411, LEU412, GLY433, LEU435, GLY459, ASP460 and 18 more
  • 7PT3 · Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493A structure in complex with… · TPW A701 · binds GLY409, GLY410, ASP411, LEU412, GLY433, LEU435, GLY459, ASP460 and 17 more
  • 2JI6 · X-ray structure of oxalyl-CoA decarboxylase in complex with 3-deaza- thdp and oxalyl-CoA · TPW A1566 · binds TYR377, GLY400, ALA401, ASN402, ALA403, GLY426, VAL427, MET428 and 18 more
  • 2JI9 · X-ray structure of oxalyl-CoA decarboxylase in complex with 3-deaza-thdp · TPW A1554 · binds TYR377, GLY400, ALA401, ASN402, ALA403, GLY426, VAL427, MET428 and 19 more
  • 2Q5J · X-ray structure of phenylpyruvate decarboxylase in complex with 3- deaza-thdp · TPW A1002 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 19 more
  • 2Q5O · X-ray structure of phenylpyruvate decarboxylase in complex with 3- deaza-thdp and… · TPW A2002 · binds MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404, GLY428 and 18 more
  • 2Q5Q · X-ray structure of phenylpyruvate decarboxylase in complex with 3- deaza-thdp and… · TPW A2002 · binds ASN81, MET380, GLY381, ASP382, CYS383, ALA402, GLY403, MET404 and 19 more
  • 3DV0 · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · TPW A1370 · binds GLN81, TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173 and 15 more
  • 3DVA · Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme… · TPW A1370 · binds TYR102, ARG103, ILE142, ILE143, ILE144, GLY172, ASP173, GLY174 and 15 more

Residues it binds most

GLY 48, ALA 48, ASN 48, GLU 48, ILE 48, ASP 48, GLN 28, LEU 40, MET 20, PHE 24 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • 3KK · S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
  • ADP · Adenosine-5'-diphosphate
  • K · Potassium ion
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol
  • GOL · Glycerol
  • KPV · 5-phenyl-2-keto-valeric acid
  • OXK · Oxalyl-coenzyme A
  • PPY · 3-phenylpyruvic acid
  • PYR · Pyruvic acid
  • PGE · Triethylene glycol
  • TLA · L(+)-tartaric acid

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