1H05	Dehydratase	date	Jun 11, 2002
title	3-Dehydroquinate Dehydratase From Mycobacterium Tuberculosis In Complex With Sulphate
authors	A.W.Roszak, J.R.Coggins, A.J.Lapthorn
compound		source
Molecule: 3-Dehydroquinate Dehydratase Synonym: 3-Dehydroquinase, Type 2 Dhqase Chain: A Ec: 4.2.1.10 Engineered: Yes		Organism_scientific: Mycobacterium Tuberculosis Strain: H37rv Expression_system: Escherichia Coli Expression_system_strain: Bl21 De3 (Plyss) Expression_system_vector: Pet-15b Expression_system_plasmid: Mpet
symmetry	Space Group: F 2 3	R_factor	0.139
crystal cell	length a length b length c angle alpha angle beta angle gamma 126.635 126.635 126.635 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	1.5 Å
ligand	SO4	enzyme	3-dehydroquinate dehydratase;. 3-dehydroquinate hydrolase;. DHQase;. Dehydroquinate dehydratase;. 3-dehydroquinase;. 5-dehydroquinase;. Dehydroquinase;. 5-dehydroquinate dehydratase;. 5-dehydroquinate hydro-lyase. Lyase E.C.4.2.1.10 BRENDA
note	1H05 is a representative structure
similarity	Belongs to the type-ii 3-dehydroquinase family.[DHquinase_II]
subunit	Homododecamer.
catalytic activ.	3-dehydroquinate = 3-dehydroshikimate + h(2)o.
pathway	Context. Metabolic intermediate biosynthesis; chorismate biosynthesis; chorismate from d-erythrose 4-phosphate and pep: step 3.
genes	aroQ (A. pleuropneumoniae); yqhS (B. subtilis); aroQ (H. pylori); aroD, t1231 (S. typhi); aroD (S. aureus); aroD (S. aureus); aroQ (S. coelicolor)
function	Catalyzes a trans-dehydration via an enolate intermediate (by similarity).
Gene Ontology	Chain Function Process Component A 3-dehydroquinate dehydratase... lyase activity amino acid biosynthetic proc... aromatic amino acid family b... aromatic amino acid family b...
Primary reference	Specificity of substrate recognition by type II dehydroquinases as revealed by binding of polyanions., Evans LD, Roszak AW, Noble LJ, Robinson DA, Chalk PA, Matthews JL, Coggins JR, Price NC, Lapthorn AJ, FEBS Lett 2002 Oct 23;530(1-3):24-30. PMID:12387860

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (69 Kb) [Save to disk] Biological Unit Coordinates (1h05.pdb1.gz) 54 Kb CSU: Contacts of Structural Units for 1H05 Likely Quarternary Molecular Structure file(s) for 1H05 Structure Factors (197 Kb) Retrieve 1H05 in mmCIF format [Save to disk]

View 1H05 in 3D

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Visual 3D analysis of 1H05

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Structure-derived information

Conformational Epitope Prediction for 1H05 from the CEP Server. Electron Density related parameters from EDS Electron Density Server, at Upsala Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1H05, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1h05a_, region A [Jmol] [rasmolscript] [script source] Fold representative 1h05 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: [1h05_A]

Other resources with information on 1H05

InterPro: IPR001874 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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