Brand  (β version)

PDB ID: 6AN4

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
J1F ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid PoSSuM
Non-standard Residues
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Structure summary

Code : 6AN4   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
Release Data : 2018-08-15
Compound :
mol_id molecule chains synonym
1 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase A 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase,PPPK,7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase,HPPK
ec: 2.7.6.3
fragment: Full-length
Source :
mol_id organism_scientific expression_system
1 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli  (taxid:469008)
strain: K12
gene: folK, b0142, JW0138
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 : alpha beta, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.4700 Å )
Citation :

Bisubstrate analog inhibitors of HPPK: Transition state mimetics

Shaw, X.G.,Shi, G.,Ji, X.
to be published 

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

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

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

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

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

Shi, G.,Shaw, G.,Li, Y.  et al.
(2014)  FEBS J.  281 : 4123 - 4134

Reaction

Chain : A
UniProt : P26281 (HPPK_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
6-hydroxymethyl-7,8-dihydropterin + ATP = (7,8-dihydropterin- 6-yl)methyl diphosphate + AMP + H(+) 2.7.6.3 PubMed:1325970
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