Brand  (β version)

PDB ID: 1DQS

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
CRB [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid PoSSuM
NAD Nicotinamide-adenine-dinucleotide PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 1DQS   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+
Release Data : 1999-07-26
Compound :
mol_id molecule chains synonym
1 PROTEIN (3-DEHYDROQUINATE SYNTHASE) A,B DHQS, 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE PHOSPHATE-LYASE (CYCLIZING)
ec: 4.6.1.3
fragment: N-TERMINAL DOMAIN OF THE PENTAFUNCTIONAL AROM PROTEIN
other_details: DHQS IS A DIMER, WITH ONE NAD+, ONE ZN2+ AND ONE SUBSTRATE ANALOGUE INHIBITOR (CARBAPHOSPHONATE, CRB) BOUND PER MONOMER
Source :
mol_id organism_scientific expression_system
1 Emericella nidulans  (taxid:162425) Escherichia coli  (taxid:562)
strain: R153
cellular_location: CYTOPLASM
gene: PART OF AROMA
expression_system_strain: GLW38 (AROB-) FROM THE GLASGOW CULTURE COLLECTION
expression_system_cellular_location: CYTOPLASM
expression_system_vector_type: PLASMID
expression_system_vector: PTRC99A
expression_system_plasmid: PTR51
expression_system_gene: PART OF AROMA
Authors : Carpenter, E.P., Hawkins, A.R., Frost, J.W., Brown, K.A.
Keywords : SHIKIMATE PATHWAY ENZYME, MULTI-STEP ENZYME, OXIDOREDUCTASE, PHOSPHATE ELIMINATION, INTRA MOLECULAR ALDOL CONDENSATION, NAD+ BINDING, ZN2+ BINDING, LYASE, CYCLASE, AROMATIC AMINO ACID BIOSYNTHESIS
Exp. method : X-RAY DIFFRACTION ( 1.8 Å )
Citation :

Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis.

Carpenter, E.P.,Hawkins, A.R.,Frost, J.W.  et al.
(1998)  Nature  394 : 299 - 302

PubMed: 9685163
DOI: 10.1038/28431

Reactivation of 3-Dehydroquinate Synthase by Lanthanide Cations

Moore, J.D.,Skinner, M.A.,Swatman, D.R.  et al.
(1998)  J.Am.Chem.Soc.  120 : 7105

DOI: 10.1021/ja974220x

Cyclohexenyl and Cyclohexylidene Inhibitors of 3-Dehydroquinate Synthase: Active Site Interactions Relevant to Enzyme Mechanism and Inhibitor Design

Montchamp, J.L.,Frost, J.W.
(1997)  J.Am.Chem.Soc.  119 : 7645

DOI: 10.1021/ja961771z

Efficient Independent Activity of a Monomeric, Monofunctional Dehydroquinate Synthase Derived from the N-Terminus of the Pentafunctional Arom Protein of Aspergillus Nidulans

Moore, J.D.,Coggins, J.R.,Virden, R.  et al.
(1994)  Biochem.J.  301 : 297

The Pre-Chorismate (Shikimate) and Quinate Pathways in Filamentous Fungi: Theoretical and Practical Aspects

Hawkins, A.R.,Lamb, H.K.,Moore, J.D.  et al.
(1993)  J.Gen.Microbiol.  139 : 2891

Overproduction in Escherichia Coli of the Dehydroquinate Synthase Domain of the Aspergillus Nidulans Pentafunctional Arom Protein

Van Den Hombergh, J.P.,Moore, J.D.,Charles, I.G.  et al.
(1992)  Biochem.J.  284 : 861

Dehydroquinate Synthase: The Use of Substrate Analogues to Probe the Early Steps of the Catalyzed Reaction

Bender, S.L.,Widlanski, T.,Knowles, J.R.
(1989)  Biochemistry  28 : 7560

The Enzymatic Conversion of 3-Deoxy-D-Arabino-Heptulosinic Acid 7-Phosphate to 5-Dehydroquinate

Srinivasen, P.R.,Rothchild, J.,Sprinson, D.B.
(1963)  J.Biol.Chem.  238 : 3176

Reaction

Chain : A, B
UniProt : P07547 (ARO1_EMENI)
Reaction: EC: Evidence:
Physiological Direction:
7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate = 3- dehydroquinate + phosphate 4.2.3.4 HAMAP-Rule:MF_03143
-
3-dehydroquinate = 3-dehydroshikimate + H2O 4.2.1.10 HAMAP- Rule:MF_03143
-
NADP(+) + shikimate = 3-dehydroshikimate + H(+) + NADPH 1.1.1.25 HAMAP-Rule:MF_03143
-
ATP + shikimate = 3-phosphoshikimate + ADP + H(+) 2.7.1.71 HAMAP-Rule:MF_03143
-
3-phosphoshikimate + phosphoenolpyruvate = 5-O-(1- carboxyvinyl)-3-phosphoshikimate + phosphate 2.5.1.19 HAMAP- Rule:MF_03143
-