Brand  (β version)

PDB ID: 4TMR

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Ligands
Code Name Style Show Link
PLG N-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] PoSSuM
99S Methyl 5-{3-[(4s)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-C]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4TMR   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-C]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
Release Data : 2015-03-25
Compound :
mol_id molecule chains
1 Serine hydroxymethyltransferase, putative A,B,C
other_details: Plasmodium vivax SHMT with PLP-glycine Schiff base and a novel pyrazolopyran 99S
Source :
mol_id organism_scientific expression_system
1 Plasmodium vivax  (taxid:126793) Escherichia coli  (taxid:562)
strain: Salvador I
gene: PVX_100730
expression_system_vector_type: Plasmid
expression_system_plasmid: pET17b
Authors : Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Witschel, M.C.
Keywords : alpha and beta protein, Transferase, methyltransferase activity, Inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.70 Å )
Citation :

Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.

Witschel, M.C.,Rottmann, M.,Schwab, A.  et al.
(2015)  J.Med.Chem.  58 : 3117 - 3130

PubMed: 25785478
DOI: 10.1021/jm501987h

Reaction

Chain : A, B, C
UniProt : A5K8L9 (A5K8L9_PLAVS)
Reaction : -