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- PDB-4olg: Crystal structure of AmpC beta-lactamase in complex with covalent... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4olg | ||||||
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Title | Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid | ||||||
![]() | Beta-lactamase | ||||||
![]() | HYDROLASE / AMPC BETA-LACTAMASE / CLASS / CEPHALOSPORINASE | ||||||
Function / homology | ![]() antibiotic catabolic process / beta-lactamase activity / beta-lactamase / outer membrane-bounded periplasmic space / response to antibiotic Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shoichet, B.K. / Barelier, S. | ||||||
![]() | ![]() Title: Substrate deconstruction and the nonadditivity of enzyme recognition. Authors: Barelier, S. / Cummings, J.A. / Rauwerdink, A.M. / Hitchcock, D.S. / Farelli, J.D. / Almo, S.C. / Raushel, F.M. / Allen, K.N. / Shoichet, B.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 155.8 KB | Display | ![]() |
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PDB format | ![]() | 128.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 39587.922 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-PO4 / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.78 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.6 Details: 1.7 M POTASSIUM PHOSPHATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 80 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 11, 2012 |
Radiation | Monochromator: Double flat crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.115869 Å / Relative weight: 1 |
Reflection | Resolution: 1.71→30 Å / Num. all: 85920 / Num. obs: 85387 / % possible obs: 99.4 % / Observed criterion σ(I): -3 |
Reflection shell | Resolution: 1.71→1.81 Å / % possible all: 98.8 |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 107.28 Å2 / Biso mean: 28.513 Å2 / Biso min: 15.03 Å2
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Refinement step | Cycle: LAST / Resolution: 1.71→29.41 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.711→1.756 Å / Total num. of bins used: 20
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