1DQS	Lyase	date	Apr 09, 1998
title	Crystal Structure Of Dehydroquinate Synthase (Dhqs) Complexed With Carbaphosphonate, Nad+ And Zn2+
authors	E.P.Carpenter, A.R.Hawkins, J.W.Frost, K.A.Brown
compound		source
Molecule: 3-Dehydroquinate Synthase Chain: A, B Fragment: N-Terminal Domain Of The Pentafunctional Arom Protein; Synonym: Dhqs, 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Phosphate-Lyase (Cyclizing); Ec: 4.6.1.3 Engineered: Yes Biological_unit: Dimer Other_details: Dhqs Is A Dimer, With One Nad+, One Zn2+ And One Substrate Analogue Inhibitor ( Carbaphosphonate, Crb) Bound Per Monomer		Organism_scientific: Emericella Nidulans (Aspergillus Nidulans); Organism_common: Aspergillus Strain: R153 Cellular_location: Cytoplasm Gene: Part Of Aroma Expression_system: Escherichia Coli 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
symmetry	Space Group: P 21 21 21	R_factor	0.174
crystal cell	length a length b length c angle alpha angle beta angle gamma 67.677 80.810 143.513 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	1.80 Å
ligand	CL, CRB, NAD, ZN	enzyme	Lyase E.C.4.2.3.4 BRENDA
similarity	In the n-terminal section; belongs to the dehydroquinate synthase family. In the 3rd section; belongs to the shikimate kinase family. In the 2nd section; belongs to the epsp synthase family. In the c-terminal section; belongs to the shikimate dehydrogenase family.[DHQ_synthase]
catalytic activ.	Phosphoenolpyruvate + 3-phosphoshikimate = phosphate + 5-o-(1-carboxyvinyl)-3-phosphoshikimate. 3-deoxy-arabino-heptulonate 7-phosphate = 3- dehydroquinate + phosphate. Atp + shikimate = adp + shikimate 3-phosphate. 3-dehydroquinate = 3-dehydroshikimate + h(2)o. Shikimate + nadp(+) = 3-dehydroshikimate + nadph.
pathway	Context. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 2. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 3. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 4. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 5. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 6.
subcellular loc.	Cytoplasm.
gene	aroMA (E. nidulans)
function	The arom polypeptide catalyzes 5 consecutive enzymatic reactions in prechorismate polyaromatic amino acid biosynthesis.
Gene Ontology	Chain Function Process Component A, B nucleotide binding catalytic activity 3-dehydroquinate dehydratase... 3-dehydroquinate synthase ac... 3-phosphoshikimate 1-carboxy... shikimate 5-dehydrogenase ac... shikimate kinase activity ATP binding kinase activity oxidoreductase activity transferase activity lyase activity amino acid biosynthetic proc... aromatic amino acid family b... aromatic amino acid family b... cytoplasm
Primary reference	Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis., Carpenter EP, Hawkins AR, Frost JW, Brown KA, Nature 1998 Jul 16;394(6690):299-302. PMID:9685163

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (150 Kb) [Save to disk] Biological Unit Coordinates (1dqs.pdb1.gz) 132 Kb CSU: Contacts of Structural Units for 1DQS Likely Quarternary Molecular Structure file(s) for 1DQS Retrieve 1DQS in mmCIF format [Save to disk]

View 1DQS in 3D

On Jmol, a nice Rasmol like molecule viewer. This is good for easiest viewing of basic structure. On FirstGlance, an excellent tool for a guided tour on the structure components, by E. Martz. On AstexViewer, from MSD-EBI (viewer documentation). On RasMol (Install RasMol freeware) Here's help on how to use RasMol.

Visual 3D analysis of 1DQS

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Structure-derived information

Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1DQS, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1dqsa_, region A [Jmol] [rasmolscript] [script source]     - Domain d1dqsb_, region B [Jmol] [rasmolscript] [script source] Fold representative 1dqs from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1dqs_A] [1dqs_B]

Other resources with information on 1DQS

InterPro: IPR006151 , IPR010110 , IPR002658 , IPR000623 , IPR001986 , IPR006264 , IPR008289 , IPR001381 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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