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- PDB-1pio: AN ENGINEERED STAPHYLOCOCCUS AUREUS PC1 BETA-LACTAMASE THAT HYDRO... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1pio | ||||||
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Title | AN ENGINEERED STAPHYLOCOCCUS AUREUS PC1 BETA-LACTAMASE THAT HYDROLYSES THIRD GENERATION CEPHALOSPORINS | ||||||
![]() | BETA-LACTAMASE | ||||||
![]() | HYDROLASE (ACTING ON CYCLIC AMIDES) | ||||||
Function / homology | ![]() beta-lactam antibiotic catabolic process / beta-lactamase activity / beta-lactamase / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Zawadzke, L.E. / Herzberg, O. | ||||||
![]() | ![]() Title: An engineered Staphylococcus aureus PC1 beta-lactamase that hydrolyses third-generation cephalosporins. Authors: Zawadzke, L.E. / Smith, T.J. / Herzberg, O. #1: ![]() Title: Refined Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.0 Angstroms Resolution Authors: Herzberg, O. #2: ![]() Title: Bacterial Resistance to Beta-Lactam Antibiotics. Crystal Structure of Beta-Lactamase from Staphylococcus Aureus Pc1 at 2.5 Angstroms Resolution Authors: Herzberg, O. / Moult, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 110.1 KB | Display | ![]() |
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PDB format | ![]() | 86 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 373.8 KB | Display | ![]() |
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Full document | ![]() | 391.8 KB | Display | |
Data in XML | ![]() | 13.3 KB | Display | |
Data in CIF | ![]() | 20.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Atom site foot note | 1: GLU A 166 - ILE A 167 OMEGA = 1.13 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION 2: GLU B 166 - ILE B 167 OMEGA = 1.73 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION |
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Components
#1: Protein | Mass: 28877.250 Da / Num. of mol.: 2 / Mutation: INS(MET 30), A238S, DEL(I239) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.23 Å3/Da / Density % sol: 44.93 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 8 / Details: pH 8.0 | ||||||||||||||||||||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 45 % | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Wavelength: 1.5418 Å |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Apr 26, 1994 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.8 Å / Num. obs: 12885 / % possible obs: 96.6 % / Observed criterion σ(I): 1.7 / Redundancy: 3.3 % / Rmerge(I) obs: 0.1475 |
Reflection | *PLUS Lowest resolution: 5.09 Å / Num. all: 13336 / Num. measured all: 42538 / Rmerge(I) obs: 0.1475 |
Reflection shell | *PLUS Highest resolution: 2.8 Å / Lowest resolution: 2.98 Å / Num. possible: 2181 / Num. measured obs: 4946 / Rmerge(I) obs: 0.423 / Mean I/σ(I) obs: 1.7 |
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Processing
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Refinement | Resolution: 2.8→8 Å / σ(F): 2
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Displacement parameters | Biso mean: 28.81 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.8→8 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |