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Yorodumi- PDB-1a2n: STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINA... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1a2n | ||||||
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Title | STRUCTURE OF THE C115A MUTANT OF MURA COMPLEXED WITH THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE | ||||||
Components | UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE | ||||||
Keywords | TRANSFERASE / PEPTIDOGLYCAN SYNTHESIS / ENOLPYRUVYL TRANSFERASE / UDP-N-ACETYLGLUCOSAMINE | ||||||
Function / homology | Function and homology information UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity / UDP-N-acetylgalactosamine biosynthetic process / UDP-N-acetylglucosamine 1-carboxyvinyltransferase / peptidoglycan biosynthetic process / cell wall organization / regulation of cell shape / cell division / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / REFINEMENT / Resolution: 2.8 Å | ||||||
Authors | Skarzynski, T. | ||||||
Citation | Journal: Biochemistry / Year: 1998 Title: Stereochemical course of enzymatic enolpyruvyl transfer and catalytic conformation of the active site revealed by the crystal structure of the fluorinated analogue of the reaction tetrahedral ...Title: Stereochemical course of enzymatic enolpyruvyl transfer and catalytic conformation of the active site revealed by the crystal structure of the fluorinated analogue of the reaction tetrahedral intermediate bound to the active site of the C115A mutant of MurA Authors: Skarzynski, T. / Kim, D.H. / Lees, W.J. / Walsh, C.T. / Duncan, K. #1: Journal: Structure / Year: 1996 Title: Structure of Udp-N-Acetylglucosamine Enolpyruvyl Transferase, an Enzyme Essential for the Synthesis of Bacterial Peptidoglycan, Complexed with Substrate Udp-N-Acetylglucosamine and the Drug Fosfomycin Authors: Skarzynski, T. / Mistry, A. / Wonacott, A. / Hutchinson, S.E. / Kelly, V.A. / Duncan, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1a2n.cif.gz | 98.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1a2n.ent.gz | 74.7 KB | Display | PDB format |
PDBx/mmJSON format | 1a2n.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1a2n_validation.pdf.gz | 460.4 KB | Display | wwPDB validaton report |
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Full document | 1a2n_full_validation.pdf.gz | 478.1 KB | Display | |
Data in XML | 1a2n_validation.xml.gz | 12.7 KB | Display | |
Data in CIF | 1a2n_validation.cif.gz | 19.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/a2/1a2n ftp://data.pdbj.org/pub/pdb/validation_reports/a2/1a2n | HTTPS FTP |
-Related structure data
Related structure data | 1uaeS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 44839.477 Da / Num. of mol.: 1 / Mutation: C115A Source method: isolated from a genetically manipulated source Details: LIGAND IS THE FLUORINATED ANALOG OF THE REACTION TETRAHEDRAL INTERMEDIATE Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) References: UniProt: P0A749, UDP-N-acetylglucosamine 1-carboxyvinyltransferase |
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#2: Chemical | ChemComp-TET / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 55 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 8.5 Details: PROTEIN WAS CRYSTALLIZED FROM 40% TERT-BUTANOL, 100 MM CACL2, 100 MM TRIS-HCL, PH 8.5 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, sitting drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Dec 5, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→19.5 Å / Num. obs: 11692 / % possible obs: 99.2 % / Observed criterion σ(I): 0 / Redundancy: 4 % / Rmerge(I) obs: 0.109 / Net I/σ(I): 7 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 2.1 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: REFINEMENT Starting model: PDB ENTRY 1UAE Resolution: 2.8→10 Å / Data cutoff high absF: 100000000 / Data cutoff low absF: 0 / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 2.8→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.8→2.92 Å / Total num. of bins used: 8
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