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Yorodumi- PDB-2wzx: AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH comp... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2wzx | ||||||
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Title | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-02 | ||||||
Components | BETA-LACTAMASE | ||||||
Keywords | HYDROLASE / INHIBITOR / ANTIBIOTIC RESISTANCE | ||||||
Function / homology | Function and homology information antibiotic catabolic process / beta-lactamase activity / beta-lactamase / outer membrane-bounded periplasmic space / response to antibiotic Similarity search - Function | ||||||
Biological species | PSEUDOMONAS AERUGINOSA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.4 Å | ||||||
Authors | Fitzgerald, P.M.D. / Sharma, N. / Lu, J. | ||||||
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 2010 Title: Side Chain Sar of Bicyclic Beta-Lactamase Inhibitors (Blis). 1. Discovery of a Class C Bli for Combination with Imipinem. Authors: Blizzard, T.A. / Chen, H. / Kim, S. / Wu, J. / Young, K. / Park, Y. / Ogawa, A. / Raghoobar, S. / Painter, R.E. / Hairston, N. / Lee, S.H. / Misura, A. / Felcetto, T. / Fitzgerald, P.M.D. / ...Authors: Blizzard, T.A. / Chen, H. / Kim, S. / Wu, J. / Young, K. / Park, Y. / Ogawa, A. / Raghoobar, S. / Painter, R.E. / Hairston, N. / Lee, S.H. / Misura, A. / Felcetto, T. / Fitzgerald, P.M.D. / Sharma, N. / Lu, J. / Ha, S. / Hickey, E. / Hermes, J. / Hammond, M.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2wzx.cif.gz | 86 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2wzx.ent.gz | 67.5 KB | Display | PDB format |
PDBx/mmJSON format | 2wzx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wz/2wzx ftp://data.pdbj.org/pub/pdb/validation_reports/wz/2wzx | HTTPS FTP |
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-Related 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: 40723.965 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P24735, beta-lactamase |
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#2: Chemical | ChemComp-ZX0 / ( |
#3: Chemical | ChemComp-CL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 1.95 Å3/Da / Density % sol: 41.41 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jul 14, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→50 Å / Num. obs: 65910 / % possible obs: 96.3 % / Observed criterion σ(I): 2 / Redundancy: 6.9 % / Biso Wilson estimate: 12.5 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 27.6 |
Reflection shell | Resolution: 1.4→1.42 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 2.1 / % possible all: 69.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.4→59.62 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.955 / SU B: 0.904 / SU ML: 0.037 / Cross valid method: THROUGHOUT / ESU R: 0.064 / ESU R Free: 0.063 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.646 Å2
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Refinement step | Cycle: LAST / Resolution: 1.4→59.62 Å
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