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Yorodumi- PDB-1gu1: Crystal structure of type II dehydroquinase from Streptomyces coe... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1gu1 | ||||||
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Title | Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid | ||||||
Components | 3-DEHYDROQUINATE DEHYDRATASE | ||||||
Keywords | LYASE / SHIKIMATE PATHWAY / TETRAHEDRAL SYMMETRY | ||||||
Function / homology | Function and homology information quinate catabolic process / 3-dehydroquinate dehydratase / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process Similarity search - Function | ||||||
Biological species | STREPTOMYCES COELICOLOR (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Roszak, A.W. / Robinson, D.A. / Krell, T. / Hunter, I.S. / Coggins, J.R. / Lapthorn, A.J. | ||||||
Citation | Journal: Structure / Year: 2002 Title: The Structure and Mechanism of the Type II Dehydroquinase from Streptomyces Coelicolor Authors: Roszak, A.W. / Robinson, D.A. / Krell, T. / Hunter, I.S. / Fredrickson, M. / Abell, C. / Coggins, J.R. / Lapthorn, A.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1gu1.cif.gz | 772.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1gu1.ent.gz | 647.8 KB | Display | PDB format |
PDBx/mmJSON format | 1gu1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gu/1gu1 ftp://data.pdbj.org/pub/pdb/validation_reports/gu/1gu1 | HTTPS FTP |
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-Related structure data
Related structure data | 1d0iC 1gtzC 1gu0C 2dhqS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
-Protein , 1 types, 12 molecules ABCDEFGHIJKL
#1: Protein | Mass: 16569.605 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOMYCES COELICOLOR (bacteria) / Plasmid: PDHQ / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: P15474, 3-dehydroquinate dehydratase |
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-Non-polymers , 5 types, 2674 molecules
#2: Chemical | ChemComp-FA1 / #3: Chemical | ChemComp-GOL / #4: Chemical | ChemComp-TLA / #5: Chemical | ChemComp-TRS / #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.8 Å3/Da / Density % sol: 55.9 % |
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Crystal grow | pH: 8.5 Details: PEG 8000, SODIUM/POTASSIUM PHOSPHATE, TRIS BUFFER, pH 8.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.89 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Mar 15, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.89 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→70 Å / Num. obs: 648516 / % possible obs: 98.1 % / Observed criterion σ(I): 0 / Redundancy: 4 % / Rmerge(I) obs: 0.088 |
Reflection shell | Resolution: 1.8→1.82 Å / Redundancy: 2.9 % / % possible all: 90.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2DHQ Resolution: 1.8→22 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Details: NONE
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Refinement step | Cycle: LAST / Resolution: 1.8→22 Å
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