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- PDB-1s6r: 908R class c beta-lactamase bound to iodo-acetamido-phenyl boroni... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1s6r | ||||||
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Title | 908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid | ||||||
![]() | beta-lactamase | ||||||
![]() | HYDROLASE | ||||||
Function / homology | ![]() antibiotic catabolic process / beta-lactamase activity / beta-lactamase / outer membrane-bounded periplasmic space / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Wouters, J. | ||||||
![]() | ![]() Title: Crystal structure of Enterobacter cloacae 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue. Authors: Wouters, J. / Fonze, E. / Vermeire, M. / Frere, J.M. / Charlier, P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 77.2 KB | Display | ![]() |
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PDB format | ![]() | 61 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 736.9 KB | Display | ![]() |
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Full document | ![]() | 757.9 KB | Display | |
Data in XML | ![]() | 17.6 KB | Display | |
Data in CIF | ![]() | 23.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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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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Details | asymetric unit corresponds to biological unit |
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Components
#1: Protein | Mass: 39097.570 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-IAP / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.28 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 9 Details: 0.1M bicine buffer, 30% PEG (Mr 6000), pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8.2 / Method: vapor diffusion, hanging drop / Details: Wouters, J., (2001) Acta Cryst., D57, 162. | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS / Detector: AREA DETECTOR |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54179 Å / Relative weight: 1 |
Reflection | Resolution: 2.24→30 Å / Num. all: 13652 / Num. obs: 13652 / % possible obs: 83.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
Reflection | *PLUS Num. obs: 11810 / % possible obs: 88.6 % / Num. measured all: 48365 / Rmerge(I) obs: 0.128 |
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Processing
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Refinement | Method to determine structure: AB INITIO / Resolution: 2.24→10 Å / Num. parameters: 11341 / Num. restraintsaints: 11667 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER
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Refine analyze | Num. disordered residues: 1 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 2814 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.24→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 10 Å / % reflection Rfree: 5 % / Rfactor obs: 0.226 / Rfactor Rfree: 0.281 / Rfactor Rwork: 0.204 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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