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Yorodumi- PDB-2xe1: Molecular insights into clinically isolated OmpC mutants and thei... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2xe1 | |||||||||
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Title | Molecular insights into clinically isolated OmpC mutants and their role in multi-drug resistance | |||||||||
Components | OUTER MEMBRANE PROTEIN C | |||||||||
Keywords | TRANSPORT PROTEIN / ION TRANSPORT / PORIN / ANTIBIOTIC RESISTANCE / CELL OUTER MEMBRANE / BETA BARREL / MEMBRANE PROTEIN | |||||||||
Function / homology | Function and homology information porin activity / pore complex / monoatomic ion transmembrane transport / cell outer membrane Similarity search - Function | |||||||||
Biological species | ESCHERICHIA COLI (E. coli) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | |||||||||
Authors | Bamford, V.A. / Naismith, J.H. | |||||||||
Citation | Journal: Plos One / Year: 2011 Title: Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli. Authors: Lou, H. / Chen, M. / Black, S.S. / Bushell, S.R. / Ceccarelli, M. / Mach, T. / Beis, K. / Low, A.S. / Bamford, V.A. / Booth, I.R. / Bayley, H. / Naismith, J.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2xe1.cif.gz | 152.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2xe1.ent.gz | 121.5 KB | Display | PDB format |
PDBx/mmJSON format | 2xe1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xe/2xe1 ftp://data.pdbj.org/pub/pdb/validation_reports/xe/2xe1 | HTTPS FTP |
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-Related structure data
Related structure data | 2xe2C 2xe3C 2xe5C 2xg6C 1osmS C: citing same article (ref.) S: Starting model for refinement |
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Similar 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: 39194.250 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: O6 / Description: O6 UROPATHOGENIC STRAIN / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: Q8CVW1 | ||||||
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#2: Chemical | #3: Chemical | ChemComp-HEX / | #4: Water | ChemComp-HOH / | Nonpolymer details | HEXANE (HEX): MODEL FOR DETERGENT DECANE (D10): MODEL FOR DETERGENT | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 4.22 Å3/Da / Density % sol: 70.85 % / Description: NONE |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-1 / Wavelength: 0.934 |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→47 Å / Num. obs: 22833 / % possible obs: 99.5 % / Observed criterion σ(I): 0 / Redundancy: 9 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 14 |
Reflection shell | Resolution: 2.5→2.5 Å / Redundancy: 9 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 3.4 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1OSM Resolution: 2.5→47.03 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.898 / SU B: 10.471 / SU ML: 0.124 / Cross valid method: THROUGHOUT / ESU R: 0.254 / ESU R Free: 0.199 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.809 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→47.03 Å
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Refine LS restraints |
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