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Yorodumi- PDB-1fsw: AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALO... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1fsw | ||||||
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Title | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID | ||||||
Components | CEPHALOSPORINASE | ||||||
Keywords | HYDROLASE / cephalosporinase / beta-lactamase / serine hydrolase | ||||||
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 | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.9 Å | ||||||
Authors | Caselli, E. / Powers, R.A. / Blaszczak, L.C. / Wu, C.Y. / Prati, F. / Shoichet, B.K. | ||||||
Citation | Journal: Chem.Biol. / Year: 2001 Title: Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Authors: Caselli, E. / Powers, R.A. / Blasczcak, L.C. / Wu, C.Y. / Prati, F. / Shoichet, B.K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fsw.cif.gz | 152.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fsw.ent.gz | 126.5 KB | Display | PDB format |
PDBx/mmJSON format | 1fsw.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1fsw_validation.pdf.gz | 463.5 KB | Display | wwPDB validaton report |
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Full document | 1fsw_full_validation.pdf.gz | 471.3 KB | Display | |
Data in XML | 1fsw_validation.xml.gz | 31.5 KB | Display | |
Data in CIF | 1fsw_validation.cif.gz | 45.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fs/1fsw ftp://data.pdbj.org/pub/pdb/validation_reports/fs/1fsw | 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
#1: Protein | Mass: 39530.871 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: SER 64 BINDS TO BORON OF LIGAND CTB IN BOTH CHAINS / Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Plasmid: POGO295 / Production host: Escherichia coli (E. coli) / References: UniProt: P00811, beta-lactamase #2: Chemical | ChemComp-PO4 / | #3: Chemical | #4: 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: 2.54 Å3/Da / Density % sol: 51.66 % | |||||||||||||||||||||||||
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 8.7 Details: 1.7M potassium phosphate, 95 uM AmpC, 586 uM cephalothinboronic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 23 ℃ / Details: used microseeding | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 5ID-B / Wavelength: 1 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: May 16, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20 Å / Num. all: 58505 / Num. obs: 58505 / % possible obs: 93.6 % / Observed criterion σ(I): -3 / Redundancy: 3 % / Biso Wilson estimate: 22.47 Å2 / Rmerge(I) obs: 0.063 / Net I/σ(I): 14.2 |
Reflection shell | Resolution: 1.9→1.94 Å / Rmerge(I) obs: 0.172 / % possible all: 94.5 |
Reflection | *PLUS Num. measured all: 176832 |
Reflection shell | *PLUS % possible obs: 94.5 % |
-Processing
Software |
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Refinement | Resolution: 1.9→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.9→20 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 / % reflection Rfree: 10 % / Rfactor obs: 0.194 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 1.94 Å |