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Yorodumi- PDB-2w5p: DraE Adhesin in complex with Chloramphenicol Succinate (monoclini... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2w5p | ||||||
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Title | DraE Adhesin in complex with Chloramphenicol Succinate (monoclinic form) | ||||||
Components | DR HEMAGGLUTININ STRUCTURAL SUBUNIT | ||||||
Keywords | CELL ADHESION / UPEC / DRAE / DAEC / ADHESIN / FIMBRIUM / HAEMAGGLUTININ / CELL PROJECTION / FIMBRIAL ADHESIN / CHLORAMPHENICOL SUCCINATE | ||||||
Function / homology | Function and homology information | ||||||
Biological species | ESCHERICHIA COLI (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Pettigrew, D.M. / Roversi, P. / Davies, S.G. / Russell, A.J. / Lea, S.M. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2009 Title: A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol Authors: Pettigrew, D.M. / Roversi, P. / Davies, S.G. / Russell, A.J. / Lea, S.M. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2w5p.cif.gz | 100.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2w5p.ent.gz | 76.5 KB | Display | PDB format |
PDBx/mmJSON format | 2w5p.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2w5p_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 2w5p_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 2w5p_validation.xml.gz | 22.4 KB | Display | |
Data in CIF | 2w5p_validation.cif.gz | 31.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/w5/2w5p ftp://data.pdbj.org/pub/pdb/validation_reports/w5/2w5p | HTTPS FTP |
-Related structure data
Related structure data | 2jkjC 2jklC 2jknC 1usqS S: Starting model for refinement C: citing same article (ref.) |
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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: 16169.844 Da / Num. of mol.: 3 / Fragment: ADHESIN SUBUNIT, RESIDUES 23-160 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: IH11128 / Cell line: M15 / Variant: O75\:K5\:H / Plasmid: PQE-30 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P24093 #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Compound details | ENGINEERED RESIDUE IN CHAIN A, GLU 39 TO LYS ENGINEERED RESIDUE IN CHAIN B, GLU 39 TO LYS ...ENGINEERED | Has protein modification | Y | Sequence details | E18K | |
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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: 2.28 Å3/Da / Density % sol: 46.2 % / Description: NONE |
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Crystal grow | pH: 7 Details: (NH4)2SO4 2M, 10 MM CHLORAMPHENICOL SUCCINATE, 0.1 M NAHEPES PH 7.0 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-3 / Wavelength: 0.931 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Dec 5, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.931 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→59 Å / Num. obs: 34784 / % possible obs: 96.8 % / Observed criterion σ(I): 0 / Redundancy: 4.1 % / Biso Wilson estimate: 1 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 6 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 2 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 2 / % possible all: 78 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1USQ Resolution: 1.9→40 Å / Cross valid method: THROUGHOUT / σ(F): 0 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. STRUCTURE REFINED WITH NO NCS ALTHOUGH IT CONTAINS THREE COPIES OF THE SAME PROTEIN. THE NCS WAS NOT ENFORCED
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Displacement parameters | Biso mean: 26 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→40 Å
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LS refinement shell | Resolution: 1.9→2 Å / Total num. of bins used: 9
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