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Yorodumi- PDB-2nm0: Crystal Structure of SCO1815: a Beta-Ketoacyl-Acyl Carrier Protei... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2nm0 | ||||||
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Title | Crystal Structure of SCO1815: a Beta-Ketoacyl-Acyl Carrier Protein Reductase from Streptomyces coelicolor A3(2) | ||||||
Components | Probable 3-oxacyl-(Acyl-carrier-protein) reductase | ||||||
Keywords | OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / fatty acid biosynthetic process / NAD binding Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.99 Å | ||||||
Authors | Khosla, C. / Tang, Y. / Lee, H.Y. / Tang, Y. / Kim, C.Y. / Mathews, I.I. | ||||||
Citation | Journal: Biochemistry / Year: 2006 Title: Structural and functional studies on SCO1815: a beta-ketoacyl-acyl carrier protein reductase from Streptomyces coelicolor A3(2). Authors: Tang, Y. / Lee, H.Y. / Tang, Y. / Kim, C.Y. / Mathews, I. / Khosla, C. #1: Journal: Biochemistry / Year: 2003 Title: Ketosynthases in the initiation and elongation modules of aromatic polyketide synthases have orthogonal acyl carrier protein specificity Authors: Tang, Y. / Lee, T.S. / Khobayashi, S. / Khosla, C. #2: Journal: Biochemistry / Year: 2004 Title: The acyltransferase homologue from the initiation module of the R1128 polyketide synthase is an acyl-ACP thioesterase that edits acetyl primer units Authors: Tang, Y. / Khppisch, A.T. / Khosla, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2nm0.cif.gz | 100.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2nm0.ent.gz | 77 KB | Display | PDB format |
PDBx/mmJSON format | 2nm0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2nm0_validation.pdf.gz | 435.8 KB | Display | wwPDB validaton report |
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Full document | 2nm0_full_validation.pdf.gz | 443.9 KB | Display | |
Data in XML | 2nm0_validation.xml.gz | 21 KB | Display | |
Data in CIF | 2nm0_validation.cif.gz | 30.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nm/2nm0 ftp://data.pdbj.org/pub/pdb/validation_reports/nm/2nm0 | HTTPS FTP |
-Related structure data
Related structure data | 1io1S 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: GLY / End label comp-ID: GLY / Refine code: 4 / Auth seq-ID: 1 - 233 / Label seq-ID: 20 - 252
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-Components
#1: Protein | Mass: 26974.617 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Strain: A3(2) / Gene: SCO1815 / Plasmid: pYT3 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 References: UniProt: Q9S274, 3-oxoacyl-[acyl-carrier-protein] reductase #2: 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: 2.56 Å3/Da / Density % sol: 52.05 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 20% PEG MME 2000, 10 mM NiCl2, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 1.03155 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 26, 2004 / Details: mirrors |
Radiation | Monochromator: Single Crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03155 Å / Relative weight: 1 |
Reflection | Resolution: 1.99→49.3 Å / Num. all: 37985 / Num. obs: 37985 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 14.4 % / Rmerge(I) obs: 0.08 / Rsym value: 0.08 / Net I/σ(I): 14.9 |
Reflection shell | Resolution: 1.99→2.07 Å / Redundancy: 14.5 % / Rmerge(I) obs: 0.497 / Mean I/σ(I) obs: 7.8 / Rsym value: 0.496 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1IO1 Resolution: 1.99→27.33 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.94 / SU B: 2.975 / SU ML: 0.087 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.155 / ESU R Free: 0.143 / 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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.95 Å2
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Refinement step | Cycle: LAST / Resolution: 1.99→27.33 Å
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Refine LS restraints |
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Refine LS restraints NCS | Dom-ID: 1 / Auth asym-ID: A / Ens-ID: 1 / Number: 1635 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 1.99→2.04 Å / Total num. of bins used: 20
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