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Yorodumi- PDB-4awz: Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4awz | ||||||
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Title | Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157 | ||||||
Components | METALLO-BETA-LACTAMASE AIM-1 | ||||||
Keywords | HYDROLASE / ANTIBIOTIC RESISTANCE / ACQUIRED B3 / DRUG BINDING SITE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | PSEUDOMONAS AERUGINOSA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Leiros, H.-K.S. / Borra, P.S. / Brandsdal, B.O. / Edvardsen, K.S.W. / Spencer, J. / Walsh, T.R. / Samuelsen, O. | ||||||
Citation | Journal: Antimicrob.Agents Chemother. / Year: 2012 Title: Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157. Authors: Leiros, H.-K.S. / Borra, P.S. / Brandsdal, B.O. / Edvardsen, K.S.W. / Spencer, J. / Walsh, T.R. / Samuelsen, O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4awz.cif.gz | 179.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4awz.ent.gz | 148.7 KB | Display | PDB format |
PDBx/mmJSON format | 4awz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/aw/4awz ftp://data.pdbj.org/pub/pdb/validation_reports/aw/4awz | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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Unit cell |
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-Components
#1: Protein | Mass: 31919.922 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: B5DCA0 #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-ZN / #5: 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: 2.18 Å3/Da / Density % sol: 43.65 % / Description: NONE |
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Crystal grow | Details: 19% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 2000, 0.1 M CALCIUM ACETATE AND 0.1 M SODIUM CACODYLATE AT PH 5.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 1.10481 |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Details: MORRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.10481 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. obs: 74731 / % possible obs: 98.9 % / Observed criterion σ(I): 0 / Redundancy: 5 % / Biso Wilson estimate: 12.84 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 17.5 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 4 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.8→20 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.949 / SU B: 1.934 / SU ML: 0.061 / Cross valid method: THROUGHOUT / ESU R: 0.102 / ESU R Free: 0.099 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
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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: 10.086 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→20 Å
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