+Open data
-Basic information
Entry | Database: PDB / ID: 1bs0 | ||||||
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Title | PLP-DEPENDENT ACYL-COA SYNTHASE | ||||||
Components | PROTEIN (8-AMINO-7-OXONANOATE SYNTHASE) | ||||||
Keywords | TRANSFERASE / PLP-DEPENDENT ACYL-COA SYNTHASE / BIOTIN BIOSYNTHESIS / 8-AMINO-7-OXONANOATE SYNTHASE / 8-AMINO-7-KETOPELARGONATE SYNTHASE | ||||||
Function / homology | Function and homology information 8-amino-7-oxononanoate synthase / 8-amino-7-oxononanoate synthase activity / biotin biosynthetic process / pyridoxal phosphate binding / protein homodimerization activity Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 1.65 Å | ||||||
Authors | Alexeev, D. / Alexeeva, M. / Baxter, R.L. / Campopiano, D.J. / Webster, S.P. / Sawyer, L. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1998 Title: The crystal structure of 8-amino-7-oxononanoate synthase: a bacterial PLP-dependent, acyl-CoA-condensing enzyme. Authors: Alexeev, D. / Alexeeva, M. / Baxter, R.L. / Campopiano, D.J. / Webster, S.P. / Sawyer, L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1bs0.cif.gz | 99.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1bs0.ent.gz | 75.8 KB | Display | PDB format |
PDBx/mmJSON format | 1bs0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bs/1bs0 ftp://data.pdbj.org/pub/pdb/validation_reports/bs/1bs0 | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 41641.172 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: B834(DE3) / Gene: BIOF / Plasmid: PUC18 / Production host: Escherichia coli (E. coli) / Strain (production host): B834(DE3) References: UniProt: P12998, 8-amino-7-oxononanoate synthase | ||
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#2: Chemical | #3: 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: 2.31 Å3/Da / Density % sol: 46.3 % | ||||||||||||||||||||
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Crystal grow | pH: 7.9 Details: PROTEIN WAS CRYSTALLIZED FROM 0.2M AMMONIUM SULPHATE, 200MM BIS-TRIS,, pH 7.9 | ||||||||||||||||||||
Crystal | *PLUS Density % sol: 46 % | ||||||||||||||||||||
Crystal grow | *PLUS 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: BW7B / Wavelength: 0.911 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jun 15, 1996 / Details: BENT MIRROR |
Radiation | Monochromator: SUPPER DOUBLE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.911 Å / Relative weight: 1 |
Reflection | Resolution: 1.64→15 Å / Num. obs: 46252 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 14.3 % / Rmerge(I) obs: 0.084 / Rsym value: 0.084 / Net I/σ(I): 31.3 |
Reflection shell | Resolution: 1.65→1.68 Å / Redundancy: 8.8 % / Rmerge(I) obs: 0.369 / Mean I/σ(I) obs: 3.3 / Rsym value: 0.369 / % possible all: 100 |
Reflection shell | *PLUS % possible obs: 99.6 % |
-Processing
Software |
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Refinement | Method to determine structure: MIR / Resolution: 1.65→10 Å / Num. parameters: 14121 / Num. restraintsaints: 12231 / Cross valid method: R-FREE / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: SOME FURTHER REFINEMENT HAS BEEN PERFORMED SINCE THE PAPER WAS SUBMITTED TO J.MOL.BIOL.
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Solvent computation | Solvent model: MOEWS & KRETSINGER, J.MOL.BIOL.91(1973) 201-228 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 2 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 3359.1 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.65→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 10 Å / Rfactor Rwork: 0.178 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |