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Open data
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Basic information
Entry | Database: PDB / ID: 2buh | |||||||||
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Title | E. COLI BETA-KETOACYL (ACYL CARRIER PROTEIN) SYNTHASE I, 120 K | |||||||||
![]() | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I | |||||||||
![]() | SYNTHASE / FATTY ACID SYNTHASE / THIOLASE FOLD / CLAISEN CONDENSATION / TRANSFERASE | |||||||||
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. / 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. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 316.9 KB | Display | ![]() |
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PDB format | ![]() | 258.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 462.3 KB | Display | ![]() |
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Full document | ![]() | 485.6 KB | Display | |
Data in XML | ![]() | 65.3 KB | Display | |
Data in CIF | ![]() | 93.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1h4fC ![]() 2buiC ![]() 2bywC ![]() 2byxC ![]() 2byyC ![]() 2byzC ![]() 2bz3C ![]() 2bz4C ![]() 1dd8S 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: 42656.203 Da / Num. of mol.: 4 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 | CATALYTIC ACTIVITY: ACYL-[ACYL-CARRIER PROTEIN] + MALONYL-[ACYL- CARRIER PROTEIN] = 3-OXOACYL-[ACYL- ...CATALYTIC ACTIVITY: ACYL-[ACYL-CARRIER PROTEIN] + MALONYL-[ACYL- CARRIER PROTEIN] = 3-OXOACYL-[ACYL-CARRIER PROTEIN] + CO(2) + [ACYL-CARRIER PROTEIN]. | |
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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 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU IMAGE PLATE / Detector: IMAGE PLATE / Date: Dec 10, 2002 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→29.7 Å / Num. obs: 134141 / % possible obs: 89.9 % / Observed criterion σ(I): 0 / Redundancy: 2.2 % / Biso Wilson estimate: 18.8 Å2 / Rmerge(I) obs: 0.13 / Net I/σ(I): 4.4 |
Reflection shell | Resolution: 1.9→2.01 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.53 / Mean I/σ(I) obs: 2 / % possible all: 60.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1DD8 Resolution: 1.9→29.73 Å / Rfactor Rfree error: 0.003 / 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: 52.8952 Å2 / ksol: 0.384986 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→29.73 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→2.02 Å / Rfactor Rfree error: 0.013 / Total num. of bins used: 6
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Xplor file |
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