+Open data
-Basic information
Entry | Database: PDB / ID: 4bt7 | ||||||
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Title | acetolactate decarboxylase with a bound phosphate ion | ||||||
Components | ALPHA-ACETOLACTATE DECARBOXYLASE | ||||||
Keywords | LYASE / ACETOIN BIOSYNTHESIS / STEREOSELECTIVE DECARBOXYLATION / BIFUNCTIONAL ENZYME | ||||||
Function / homology | Function and homology information acetolactate decarboxylase / acetoin biosynthetic process / acetolactate decarboxylase activity Similarity search - Function | ||||||
Biological species | BREVIBACILLUS BREVIS (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.1 Å | ||||||
Authors | A Marlow, V. / Rea, D. / Najmudin, S. / Wills, M. / Fulop, V. | ||||||
Citation | Journal: Acs Chem.Biol. / Year: 2013 Title: Structure and Mechanism of Acetolactate Decarboxylase. Authors: Marlow, V.A. / Rea, D. / Najmudin, S. / Wills, M. / Fulop, V. | ||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AC" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AC" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 5-STRANDED BARREL THIS IS REPRESENTED BY A 6-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4bt7.cif.gz | 114.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4bt7.ent.gz | 88.6 KB | Display | PDB format |
PDBx/mmJSON format | 4bt7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bt/4bt7 ftp://data.pdbj.org/pub/pdb/validation_reports/bt/4bt7 | HTTPS FTP |
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-Related structure data
Related structure data | 4bt2SC 4bt3C 4bt4C 4bt5C 4bt6C S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 28830.621 Da / Num. of mol.: 1 / Fragment: RESIDUES 29-285 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BREVIBACILLUS BREVIS (bacteria) / Plasmid: PJA199 / Production host: BACILLUS SUBTILIS (bacteria) / Strain (production host): JA222 / Variant (production host): TOC46 / References: UniProt: P23616, acetolactate decarboxylase |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-PO4 / |
#4: 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: 2.2 Å3/Da / Density % sol: 44 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: 0.2 M TRIMETHYLAMINE N-OXIDE (TMAO), 0.1 M TRIS PH 8.5, 28-33 PEG 2K MME |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Sep 17, 2011 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.1→32 Å / Num. obs: 104587 / % possible obs: 99.6 % / Observed criterion σ(I): -3 / Redundancy: 6.2 % / Biso Wilson estimate: 5.2 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 11 |
Reflection shell | Resolution: 1.1→1.16 Å / Redundancy: 6.2 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 3.3 / % possible all: 99.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4BT2 Resolution: 1.1→31.51 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.958 / SU B: 0.741 / SU ML: 0.019 / Cross valid method: THROUGHOUT / ESU R: 0.029 / ESU R Free: 0.03 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.908 Å2
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Refinement step | Cycle: LAST / Resolution: 1.1→31.51 Å
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Refine LS restraints |
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