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Open data
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Basic information
Entry | Database: PDB / ID: 1h4f | ||||||
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Title | E. COLI BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I K328R | ||||||
![]() | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I | ||||||
![]() | TRANSFERASE / FATTY ACID SYNTHASE / THIOLASE FOLD / CLAISEN CONDENSATION | ||||||
Function / homology | ![]() 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 | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Olsen, J.G. / von Wettstein-Knowles, P. / Mcguire, K.A. / Henriksen, A. | ||||||
![]() | ![]() Title: Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases. Authors: von Wettstein-Knowles, P. / Olsen, J.G. / McGuire, K.A. / Henriksen, A. #1: ![]() Title: Structures of Beta-Ketoacyl-Acyl Carrier Protein Synthase I Complexed with Fatty Acids Elucidate its Catalytic Machinery Authors: Olsen, J.G. / Kadziola, A. / von Wettstein-Knowles, P. / Siggaard-Andersen, M. / Larsen, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 318.4 KB | Display | ![]() |
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PDB format | ![]() | 260 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 332.8 KB | Display | ![]() |
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Full document | ![]() | 335.8 KB | Display | |
Data in XML | ![]() | 44 KB | Display | |
Data in CIF | ![]() | 64.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2buhC ![]() 2buiC ![]() 2bywC ![]() 2byxC ![]() 2byyC ![]() 2byzC ![]() 2bz3C ![]() 2bz4C ![]() 1ek4S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 42684.219 Da / Num. of mol.: 4 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P14926, UniProt: P0A953*PLUS, beta-ketoacyl-[acyl-carrier-protein] synthase I #2: Chemical | ChemComp-NH4 / #3: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 48 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.4 Details: 2% PEG 400, 1.9 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS PROPANE PH 6.5 | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 294 K / pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Sep 15, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03 Å / Relative weight: 1 |
Reflection | Resolution: 2→29.9 Å / Num. obs: 67310 / % possible obs: 90.8 % / Redundancy: 3.5 % / Biso Wilson estimate: 7.9 Å2 / Rmerge(I) obs: 0.061 / Net I/σ(I): 11.2 |
Reflection shell | Resolution: 2→2.2 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.146 / Mean I/σ(I) obs: 5.1 / % possible all: 90.1 |
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 29.9 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.061 |
Reflection shell | *PLUS % possible obs: 90.1 % / Rmerge(I) obs: 0.143 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1EK4 Resolution: 2→29.94 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 3608355.48 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MLF
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 46.8278 Å2 / ksol: 0.378499 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.6 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→29.94 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.009 / Total num. of bins used: 6
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Refinement | *PLUS Lowest resolution: 29.9 Å / % reflection Rfree: 5 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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