+Open data
-Basic information
Entry | Database: PDB / ID: 1xx2 | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | Refinement of P99 beta-lactamase from Enterobacter cloacae | |||||||||
Components | Beta-lactamase | |||||||||
Keywords | HYDROLASE / CLASS C BETA-LACTAMASE / CEPHALOSPORINASE / PENICILLINASE / AMPC / ENTEROBACTER CLOACAE / ANTIBIOTIC RESISTANCE / 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 | Enterobacter cloacae (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MIR / Resolution: 1.88 Å | |||||||||
Authors | Knox, J.R. / Sun, T. | |||||||||
Citation | Journal: Biochemistry / Year: 1994 Title: Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog. Authors: Lobkovsky, E. / Billings, E.M. / Moews, P.C. / Rahil, J. / Pratt, R.F. / Knox, J.R. #1: Journal: Proc.Natl.Acad.Sci.USA / Year: 1993 Title: Evolution of an enzyme activity: crystallographic structure at 2-A resolution of cephalosporinase from the ampC gene of Enterobacter cloacae P99 and comparison with a class A penicillinase. Authors: Lobkovsky, E. / Moews, P.C. / Liu, H. / Zhao, H. / Frere, J.M. / Knox, J.R. | |||||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1xx2.cif.gz | 159.3 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1xx2.ent.gz | 124 KB | Display | PDB format |
PDBx/mmJSON format | 1xx2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1xx2_validation.pdf.gz | 435.1 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1xx2_full_validation.pdf.gz | 444 KB | Display | |
Data in XML | 1xx2_validation.xml.gz | 31.2 KB | Display | |
Data in CIF | 1xx2_validation.cif.gz | 45.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xx/1xx2 ftp://data.pdbj.org/pub/pdb/validation_reports/xx/1xx2 | HTTPS FTP |
-Related structure data
Related structure data | 1blsC 2blt C: citing same article (ref.) S: Starting model for refinement |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
2 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 39269.754 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Enterobacter cloacae (bacteria) / Strain: P99 / References: UniProt: P05364, beta-lactamase #2: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 46.6 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion Details: PEG 8000, SODIUM CACODYLATE, MgCl2, NaN3, pH 6.5 - 8.5, VAPOR DIFFUSION, temperature 298K |
-Data collection
Diffraction | Mean temperature: 298 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: SIEMENS HI-STAR / Detector: AREA DETECTOR / Date: Feb 29, 1992 / Details: pinholes |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.86→100 Å / Num. obs: 51415 / % possible obs: 0.91 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Biso Wilson estimate: 39.5 Å2 / Rmerge(I) obs: 0.039 / Rsym value: 0.039 / Net I/σ(I): 40.5 |
Reflection shell | Resolution: 1.86→1.97 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.274 / Mean I/σ(I) obs: 2.7 / Num. unique all: 51415 / Rsym value: 0.274 / % possible all: 0.537 |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MIR Starting model: pdb entry 2BLT 2blt Resolution: 1.88→10 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 3 / σ(I): 0 / Stereochemistry target values: Engh & Huber
| ||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 0.419 Å2 | ||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
| ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.88→10 Å
| ||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 6
|