Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
EDO 1,2-ethanediol
J1A 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
Code : 3UD5
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
Release Data : 2012-01-04
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
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:83333) Escherichia coli  (taxid:562)
strain: K12
gene: b0142, foIK, folK, JW0138
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET17b
Authors : Shaw, G., Shi, G., Ji, X.
Keywords : Alpha Beta, Kinase, ATP Binding, Pyrophosphoryl Transfer, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.0000 Å )
Citation :

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 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

Chain : A
UniProt : P26281 (HPPK_ECOLI)
Reaction : ATP + 6-hydroxymethyl-7,8-dihydropterin = AMP + 6-hydroxymethyl-7,8-dihydropterin diphosphate.