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Open data
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Basic information
Entry | Database: PDB / ID: 1bq6 | ||||||
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Title | CHALCONE SYNTHASE FROM ALFALFA WITH COENZYME A | ||||||
![]() | CHALCONE SYNTHASE | ||||||
![]() | TRANSFERASE / POLYKETIDE SYNTHASE / CHALCONE BIOSYNTHESIS | ||||||
Function / homology | ![]() chalcone biosynthetic process / : / chalcone synthase / naringenin-chalcone synthase activity / flavonoid biosynthetic process / polyketide biosynthetic process Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Ferrer, J.-L. / Bowman, M.E. / Jez, J. / Dixon, R. / Noel, J.P. | ||||||
![]() | ![]() Title: Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis. Authors: Ferrer, J.L. / Jez, J.M. / Bowman, M.E. / Dixon, R.A. / Noel, J.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 176.1 KB | Display | ![]() |
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PDB format | ![]() | 143.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1020.9 KB | Display | ![]() |
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Full document | ![]() | 1 MB | Display | |
Data in XML | ![]() | 20.8 KB | Display | |
Data in CIF | ![]() | 31 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1bi5SC ![]() 1cgkC ![]() 1cgzC ![]() 1chwC ![]() 1cmlC 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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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 42656.086 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-COA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 42 % | ||||||||||||||||||||
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Crystal grow | pH: 6.5 / Details: pH 6.5 | ||||||||||||||||||||
Crystal | *PLUS | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 105 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: May 1, 1998 / Details: PT-COATED MIRROR |
Radiation | Monochromator: SI(111) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.58→35.5 Å / Num. obs: 45366 / % possible obs: 91.5 % / Redundancy: 3.5 % / Rsym value: 0.035 / Net I/σ(I): 23.8 |
Reflection shell | Resolution: 1.58→1.62 Å / Redundancy: 1.6 % / Mean I/σ(I) obs: 5.3 / Rsym value: 0.191 / % possible all: 69.6 |
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Processing
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Refinement | Method to determine structure: OTHER Starting model: PDB ENTRY 1BI5 Resolution: 1.56→10 Å / Num. parameters: 31993 / Num. restraintsaints: 40273 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: THE FIRST STEP OF THE REFINEMENT WAS PERFORMED WITH REFMAC AND ARP. ANISOTROPIC SCALING WAS APPLIED BY THE METHOD OF PARKIN, MOEZZI & HOPE, J.APPL.CRYST.28(1995)53-56. ANISOTROPIC REFINEMENT ...Details: THE FIRST STEP OF THE REFINEMENT WAS PERFORMED WITH REFMAC AND ARP. ANISOTROPIC SCALING WAS APPLIED BY THE METHOD OF PARKIN, MOEZZI & HOPE, J.APPL.CRYST.28(1995)53-56. ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY 0.84%
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Solvent computation | Solvent model: MOEWS & KRETSINGER | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 16 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 3364.6 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.56→10 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL-97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rwork: 0.1654 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |