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- PDB-4cpk: Crystal structure of PBP2a double clinical mutant N146K-E150K fro... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4cpk | ||||||
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Title | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | ||||||
![]() | Penicillin binding protein 2 prime | ||||||
![]() | HYDROLASE / PENICILLIN-BINDING PROTEIN / MRSA / ALLOSTERIC SITE | ||||||
Function / homology | ![]() peptidoglycan L,D-transpeptidase activity / penicillin binding / cell wall organization / response to antibiotic / membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Otero, L.H. / Rojas-Altuve, A. / Hermoso, J.A. | ||||||
![]() | ![]() Title: Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. Authors: Fishovitz, J. / Rojas-Altuve, A. / Otero, L.H. / Dawley, M. / Carrasco-Lopez, C. / Chang, M. / Hermoso, J.A. / Mobashery, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 538.1 KB | Display | ![]() |
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PDB format | ![]() | 441.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 977.4 KB | Display | ![]() |
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Full document | ![]() | 992.7 KB | Display | |
Data in XML | ![]() | 53.6 KB | Display | |
Data in CIF | ![]() | 78.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4bl2C ![]() 4bl3C ![]() 3zg0S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 73430.984 Da / Num. of mol.: 2 / Fragment: RESIDUES 26-668 / Mutation: YES,N146K,E150K Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: Mu50 / ATCC 700699 / Gene: mecA, SAV0041 / Plasmid: pET24D / Production host: ![]() ![]() #2: Chemical | ChemComp-CD / #3: Chemical | ChemComp-CL / #4: Sugar | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.63 Å3/Da / Density % sol: 53.28 % / Description: NONE |
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Crystal grow | pH: 7 / Details: pH 7 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8729 Å / Relative weight: 1 |
Reflection | Resolution: 2.35→46.64 Å / Num. obs: 65572 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 8.3 % / Biso Wilson estimate: 40.68 Å2 / Rmerge(I) obs: 0.16 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 2.35→2.48 Å / Redundancy: 8.4 % / Rmerge(I) obs: 0.94 / Mean I/σ(I) obs: 2.3 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3ZG0 Resolution: 2.35→46.64 Å / Cor.coef. Fo:Fc: 0.9387 / Cor.coef. Fo:Fc free: 0.9077 / SU R Cruickshank DPI: 0.306 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.33 / SU Rfree Blow DPI: 0.225 / SU Rfree Cruickshank DPI: 0.222
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Displacement parameters | Biso mean: 47.43 Å2
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Refine analyze | Luzzati coordinate error obs: 0.306 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.35→46.64 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.35→2.41 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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