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Yorodumi- PDB-1fj8: THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1fj8 | ||||||
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Title | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | ||||||
Components | BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | ||||||
Keywords | TRANSFERASE / CONDENSING ENZYMES / FATTY ACID ELONGATION / CERULENIN / DRUG DESIGN | ||||||
Function / homology | Function and homology information monounsaturated fatty acid biosynthetic process / beta-ketoacyl-[acyl-carrier-protein] synthase I / 3-oxoacyl-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.27 Å | ||||||
Authors | Price, A.C. / Choi, K. / Heath, R.J. / Li, Z. / White, S.W. / Rock, C.O. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2001 Title: Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. Authors: Price, A.C. / Choi, K.H. / Heath, R.J. / Li, Z. / White, S.W. / Rock, C.O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1fj8.cif.gz | 291.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1fj8.ent.gz | 246.3 KB | Display | PDB format |
PDBx/mmJSON format | 1fj8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fj/1fj8 ftp://data.pdbj.org/pub/pdb/validation_reports/fj/1fj8 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Details | The biological assembly is a dimer constructed from chain A and chain B. / The biological assembly is a dimer constructed from chain C and chain D. |
-Components
#1: Protein | Mass: 42656.203 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Plasmid: PET15B / Production host: Escherichia coli (E. coli) References: UniProt: P0A953, beta-ketoacyl-[acyl-carrier-protein] synthase I #2: Chemical | ChemComp-CER / ( #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: 2.57 Å3/Da / Density % sol: 52.14 % | |||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: ammonium sulfate, PEG 400, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K | |||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 / Method: microdialysis | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR571 / Wavelength: 1.54 |
Detector | Type: ENRAF-NONIUS / Detector: IMAGE PLATE / Date: Mar 6, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.27→20 Å / Num. all: 79879 / Num. obs: 79879 / % possible obs: 97.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.1 % / Biso Wilson estimate: 31 Å2 / Rmerge(I) obs: 0.092 / Net I/σ(I): 17 |
Reflection shell | Resolution: 2.27→2.31 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.339 / % possible all: 91.8 |
Reflection | *PLUS Num. measured all: 741083 |
Reflection shell | *PLUS % possible obs: 91.8 % |
-Processing
Software |
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Refinement | Resolution: 2.27→20 Å / σ(F): 0 / σ(I): 0 Stereochemistry target values: Engh, R.A. and Huber, R. (1991). Accurate Bond and Angle Parameters for X-ray Protein-Structure Refinement, Acta Cryst. A47, 392-400.
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Refinement step | Cycle: LAST / Resolution: 2.27→20 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 / Rfactor obs: 0.23 / Rfactor Rwork: 0.23 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
Refine LS restraints | *PLUS
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