Brand  (β version)

PDB ID: 4PZV

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
J1D 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine PoSSuM
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Structure summary

Code : 4PZV   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
Release Data : 2014-07-16
Compound :
mol_id molecule chains
1 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase A
ec: 2.5.1.15, 2.7.6.3
Source :
mol_id organism_scientific expression_system
1 Francisella tularensis subsp. tularensis  (taxid:177416) Escherichia coli  (taxid:562)
strain: SCHU S4 / Schu 4
gene: foIK, folK, FTT_0942c
expression_system_strain: BL21-CodonPlus(DE3)-RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pDN2163
Authors : Shaw, G.X., Shi, G., Ji, X.
Keywords : Ferredoxin-like fold; TIM barrel fold, Transferase, ATP binding, Phosphorylation
Exp. method : X-RAY DIFFRACTION ( 1.7040 Å )
Citation :

Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.

Shaw, G.X.,Li, Y.,Shi, G.  et al.
(2014)  Febs J.  281 : 4123 - 4137

PubMed: 24975935
DOI: 10.1111/febs.12896

Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: synthesis and biochemical and crystallographic studies.

Shi, G.,Blaszczyk, J.,Ji, X.  et al.
(2001)  J.Med.Chem.  44 : 1364 - 1371

PubMed: 11311059

Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.

Shi, G.,Shaw, G.,Liang, Y.H.  et al.
(2012)  Bioorg.Med.Chem.  20 : 47 - 57

PubMed: 22169600
DOI: 10.1016/j.bmc.2011.11.032

Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: new lead exhibits a distinct binding mode.

Shi, G.,Shaw, G.,Li, Y.  et al.
(2012)  Bioorg.Med.Chem.  20 : 4303 - 4309

PubMed: 22727779
DOI: 10.1016/j.bmc.2012.05.060

Reaction

Chain : A
UniProt : Q5NGA7 (Q5NGA7_FRATT)
Reaction: EC: Evidence:
Physiological Direction:
(7,8-dihydropterin-6-yl)methyl diphosphate + 4-aminobenzoate = 7,8-dihydropteroate + diphosphate 2.5.1.15 ARBA:ARBA00000012
-
6-hydroxymethyl-7,8-dihydropterin + ATP = (7,8-dihydropterin- 6-yl)methyl diphosphate + AMP + H(+) 2.7.6.3 ARBA:ARBA00000198
-