+Open data
-Basic information
Entry | Database: PDB / ID: 1hbk | ||||||
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Title | Acyl-CoA binding protein from Plasmodium falciparum | ||||||
Components | ACYL-COA BINDING PROTEIN | ||||||
Keywords | FATTY ACID METABOLISM | ||||||
Function / homology | Function and homology information | ||||||
Biological species | PLASMODIUM FALCIPARUM (malaria parasite P. falciparum) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | van Aalten, D.M.F. | ||||||
Citation | Journal: J. Mol. Biol. / Year: 2001 Title: Binding site differences revealed by crystal structures of Plasmodium falciparum and bovine acyl-CoA binding protein. Authors: van Aalten, D.M. / Milne, K.G. / Zou, J.Y. / Kleywegt, G.J. / Bergfors, T. / Ferguson, M.A. / Knudsen, J. / Jones, T.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1hbk.cif.gz | 30.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1hbk.ent.gz | 23.3 KB | Display | PDB format |
PDBx/mmJSON format | 1hbk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/hb/1hbk ftp://data.pdbj.org/pub/pdb/validation_reports/hb/1hbk | HTTPS FTP |
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-Related 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: 10690.099 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) PLASMODIUM FALCIPARUM (malaria parasite P. falciparum) Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / References: UniProt: Q8IK57 | ||
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#2: Chemical | ChemComp-COA / | ||
#3: Chemical | ChemComp-MYR / | ||
#4: Chemical | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 54.13 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 8.5 / Details: pH 8.50 | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.5 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: BW7A / Wavelength: 1 |
Detector | Date: Nov 15, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→30 Å / Num. obs: 28928 / % possible obs: 99.7 % / Redundancy: 3.2 % / Biso Wilson estimate: 22.7 Å2 / Rmerge(I) obs: 0.062 / Net I/σ(I): 15.1 |
Reflection shell | Resolution: 1.9→1.97 Å / Rmerge(I) obs: 0.71 / Mean I/σ(I) obs: 1.9 / % possible all: 99.6 |
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 25 Å / Num. obs: 7754 / Num. measured all: 28439 / Rmerge(I) obs: 0.058 |
Reflection shell | *PLUS Highest resolution: 2 Å / Lowest resolution: 2.07 Å / % possible obs: 95.3 % / Redundancy: 3.4 % / Num. unique obs: 736 / Num. measured obs: 2526 / Rmerge(I) obs: 0.516 / Mean I/σ(I) obs: 2.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2→19.85 Å / Rfactor Rfree error: 0.011 / Data cutoff high absF: 798970.32 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 61.6614 Å2 / ksol: 0.356273 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→19.85 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.031 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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