[English] 日本語
Yorodumi- PDB-2wzz: AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH comp... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2wzz | ||||||
---|---|---|---|---|---|---|---|
Title | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA)IN COMPLEX WITH compound M-03 | ||||||
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 / OTHER / Resolution: 1.57 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 |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 2wzz.cif.gz | 85.3 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb2wzz.ent.gz | 67.1 KB | Display | PDB format |
PDBx/mmJSON format | 2wzz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2wzz_validation.pdf.gz | 699.4 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 2wzz_full_validation.pdf.gz | 699.7 KB | Display | |
Data in XML | 2wzz_validation.xml.gz | 17.5 KB | Display | |
Data in CIF | 2wzz_validation.cif.gz | 26.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wz/2wzz ftp://data.pdbj.org/pub/pdb/validation_reports/wz/2wzz | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-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 |
---|---|
#2: Chemical | ChemComp-ZX1 / ( |
#3: Chemical | ChemComp-CL / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
---|
-Sample preparation
Crystal | Density Matthews: 1.98 Å3/Da / Density % sol: 37.54 % / Description: NONE |
---|
-Data collection
Diffraction | Mean temperature: 77 K |
---|---|
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: 1.57→50 Å / Num. obs: 48596 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 8.8 % / Biso Wilson estimate: 16.2 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 20.3 |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: OTHER / Resolution: 1.57→59.93 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.314 / SU ML: 0.048 / Cross valid method: THROUGHOUT / ESU R: 0.088 / ESU R Free: 0.082 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: 15.233 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.57→59.93 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|