+Open data
-Basic information
Entry | Database: PDB / ID: 4b7v | ||||||
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Title | Structure of wild type Pseudomonas aeruginosa FabF (KASII) | ||||||
Components | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2 | ||||||
Keywords | TRANSFERASE / FATTY ACID BIOSYNTHESIS | ||||||
Function / homology | Function and homology information beta-ketoacyl-[acyl-carrier-protein] synthase II / 3-oxoacyl-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | PSEUDOMONAS AERUGINOSA (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.73 Å | ||||||
Authors | Lecker, L. / Baum, B. / Zoltner, M. / Hunter, W.N. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.F / Year: 2015 Title: Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried ...Title: Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form Authors: Baum, B. / Lecker, L.S.M. / Zoltner, M. / Jaenicke, E. / Schnell, R. / Hunter, W.N. / Brenk, R. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR PROVIDED. | ||||||
Remark 700 | SHEET DETERMINATION METHOD: AUTHOR PROVIDED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4b7v.cif.gz | 183.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4b7v.ent.gz | 145.5 KB | Display | PDB format |
PDBx/mmJSON format | 4b7v.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4b7v_validation.pdf.gz | 429.9 KB | Display | wwPDB validaton report |
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Full document | 4b7v_full_validation.pdf.gz | 434 KB | Display | |
Data in XML | 4b7v_validation.xml.gz | 35.9 KB | Display | |
Data in CIF | 4b7v_validation.cif.gz | 54.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/b7/4b7v ftp://data.pdbj.org/pub/pdb/validation_reports/b7/4b7v | HTTPS FTP |
-Related structure data
Related structure data | 4jb6C 4jpfC 2gfwS 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: 46102.750 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PSEUDOMONAS AERUGINOSA (bacteria) / Strain: PAO1 / Plasmid: PNIC-BSA4 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): PLYSS References: UniProt: O54440, UniProt: G3XDA2*PLUS, beta-ketoacyl-[acyl-carrier-protein] synthase II #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: 2.18 Å3/Da / Density % sol: 43.58 % / Description: NONE |
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Crystal grow | pH: 7 Details: 0.2 M MAGNESIUM CHLORIDE, 0.1 M TRIS PH 7.0, 10% (W/V) PEG8000 |
-Data collection
Diffraction | Mean temperature: 293.15 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 |
Detector | Type: RIGAKU SATURN 944+ HG / Detector: CCD / Date: May 30, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.73→48.85 Å / Num. obs: 76169 / % possible obs: 94.2 % / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 19.5 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 20.8 |
Reflection shell | Resolution: 1.73→1.77 Å / Redundancy: 1.3 % / Rmerge(I) obs: 0.26 / Mean I/σ(I) obs: 2.3 / % possible all: 59.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2GFW Resolution: 1.73→48.85 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.947 / SU B: 2.408 / SU ML: 0.078 / Cross valid method: THROUGHOUT / ESU R: 0.131 / ESU R Free: 0.119 / 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: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.24 Å2
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Refinement step | Cycle: LAST / Resolution: 1.73→48.85 Å
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Refine LS restraints |
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