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Yorodumi- PDB-3ue1: Crystal strucuture of Acinetobacter baumanni PBP1A in complex wit... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3ue1 | ||||||
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Title | Crystal strucuture of Acinetobacter baumanni PBP1A in complex with MC-1 | ||||||
Components | Penicillin-binding protein 1a | ||||||
Keywords | Penicillin-binding protein/Antibiotic / transglycosylase / transpeptidase / Penicillin-binding protein-Antibiotic complex | ||||||
Function / homology | Function and homology information peptidoglycan glycosyltransferase / peptidoglycan glycosyltransferase activity / serine-type D-Ala-D-Ala carboxypeptidase / serine-type D-Ala-D-Ala carboxypeptidase activity / penicillin binding / peptidoglycan biosynthetic process / response to antibiotic / proteolysis / plasma membrane Similarity search - Function | ||||||
Biological species | Acinetobacter baumannii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.73 Å | ||||||
Authors | Han, S. | ||||||
Citation | Journal: J.Am.Chem.Soc. / Year: 2011 Title: Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics Authors: Han, S. / Caspers, N. / Zaniewski, R.P. / Lacey, B.M. / Tomaras, A.P. / Feng, X. / Geoghegan, K.F. / Shanmugasundaram, V. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3ue1.cif.gz | 492.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3ue1.ent.gz | 403.5 KB | Display | PDB format |
PDBx/mmJSON format | 3ue1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ue/3ue1 ftp://data.pdbj.org/pub/pdb/validation_reports/ue/3ue1 | HTTPS FTP |
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-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: 81886.898 Da / Num. of mol.: 2 / Fragment: unp residues 50-764 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii (bacteria) / Strain: ACICU / Gene: ACICU_03395, ponA / Production host: Escherichia coli (E. coli) / References: UniProt: G1C794, UniProt: A0A7U3Y2Z8*PLUS #2: Chemical | #3: 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: 2.2 Å3/Da / Density % sol: 44.07 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 25% PEGmme 5000, 0.1M MES pH 6.5, 0.1M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 20, 2010 |
Radiation | Monochromator: mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→244 Å / Num. obs: 39354 / % possible obs: 93.2 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Biso Wilson estimate: 63.16 Å2 |
Reflection shell | Resolution: 2.7→2.742 Å / % possible all: 75.3 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 2.73→39.57 Å / Cor.coef. Fo:Fc: 0.9406 / Cor.coef. Fo:Fc free: 0.916 / SU R Cruickshank DPI: 17.576 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 61.46 Å2
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Refine analyze | Luzzati coordinate error obs: 0.327 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.73→39.57 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.73→2.8 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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Refinement TLS group |
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