+Open data
-Basic information
Entry | Database: PDB / ID: 1djb | ||||||
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Title | STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K | ||||||
Components | BETA-LACTAMASE | ||||||
Keywords | HYDROLASE / ANTIBIOTIC RESISTANCE / PLASMID / TRANSPOSABLE ELEMENT | ||||||
Function / homology | Function and homology information beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | Staphylococcus aureus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.1 Å | ||||||
Authors | Chen, C.C.H. / Herzberg, O. | ||||||
Citation | Journal: Biochemistry / Year: 1996 Title: Structure and kinetics of the beta-lactamase mutants S70A and K73H from Staphylococcus aureus PC1. Authors: Chen, C.C. / Smith, T.J. / Kapadia, G. / Wasch, S. / Zawadzke, L.E. / Coulson, A. / Herzberg, O. #1: Journal: Protein Eng. / Year: 1995 Title: An Engineered Staphylococcus Aureus Pc1 Beta-Lactamase that Hydrolyses Third-Generation Cephalosporins Authors: Zawadzke, L.E. / Smith, T.J. / Herzberg, O. #2: Journal: J.Mol.Biol. / Year: 1991 Title: Refined Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.0 Authors: Herzberg, O. #3: Journal: Science / Year: 1987 Title: Bacterial Resistance to Beta-Lactam Antibiotics. Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.5 A Resolution Authors: Herzberg, O. / Moult, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1djb.cif.gz | 65.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1djb.ent.gz | 47.6 KB | Display | PDB format |
PDBx/mmJSON format | 1djb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1djb_validation.pdf.gz | 368.5 KB | Display | wwPDB validaton report |
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Full document | 1djb_full_validation.pdf.gz | 372.8 KB | Display | |
Data in XML | 1djb_validation.xml.gz | 6.8 KB | Display | |
Data in CIF | 1djb_validation.cif.gz | 10.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dj/1djb ftp://data.pdbj.org/pub/pdb/validation_reports/dj/1djb | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 28827.211 Da / Num. of mol.: 1 / Mutation: S70A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Staphylococcus aureus (bacteria) / Strain: PC1 / Gene: BLAZ / Plasmid: PTS6 / Gene (production host): BLAZ Production host: SHUTTLE PLASMID FROM ESCHERICHIA COLI MC1061 TO STAPHYLOCOCCUS AUREUS RN4220 References: UniProt: P00807, beta-lactamase |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 65 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Jul 31, 1991 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.1 Å / Num. obs: 18843 / % possible obs: 85 % / Observed criterion σ(I): 0 / Redundancy: 3.4 % / Rmerge(I) obs: 0.092 |
Reflection | *PLUS Num. measured all: 63813 |
Reflection shell | *PLUS Highest resolution: 2.1 Å / Lowest resolution: 2.2 Å / % possible obs: 45 % / Num. unique obs: 1492 / Num. measured obs: 3089 / Rmerge(I) obs: 0.327 / Mean I/σ(I) obs: 0.5 |
-Processing
Software |
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Refinement | Resolution: 2.1→8 Å / σ(F): 2 /
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Refinement step | Cycle: LAST / Resolution: 2.1→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |