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- PDB-2d51: Pentaketide chromone synthase (M207G mutant) -

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Basic information

Entry
Database: PDB / ID: 2d51
TitlePentaketide chromone synthase (M207G mutant)
Componentspentaketide chromone synthase
KeywordsTRANSFERASE / pentaketide chromone synthase / chalcone synthase / polyketide synthase
Function / homology
Function and homology information


5,7-dihydroxy-2-methylchromone synthase / flavonoid biosynthetic process / acyltransferase activity, transferring groups other than amino-acyl groups / protein homodimerization activity
Similarity search - Function
Chalcone/stilbene synthase, N-terminal / Polyketide synthase, type III / Chalcone/stilbene synthase, C-terminal / Chalcone and stilbene synthases, C-terminal domain / Chalcone and stilbene synthases, N-terminal domain / Thiolase/Chalcone synthase / Peroxisomal Thiolase; Chain A, domain 1 / Thiolase-like / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
5,7-dihydroxy-2-methylchromone synthase
Similarity search - Component
Biological speciesAloe arborescens (plant)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å
AuthorsKohno, T. / Morita, H.
CitationJournal: Chem.Biol. / Year: 2007
Title: Structural Insight into Chain-Length Control and Product Specificity of Pentaketide Chromone Synthase from Aloe arborescens
Authors: Morita, H. / Kondo, S. / Oguro, S. / Noguchi, H. / Sugio, S. / Abe, I. / Kohno, T.
History
DepositionOct 27, 2005Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 14, 2006Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 10, 2021Group: Database references / Derived calculations / Category: database_2 / struct_conn / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: pentaketide chromone synthase
B: pentaketide chromone synthase


Theoretical massNumber of molelcules
Total (without water)89,5832
Polymers89,5832
Non-polymers00
Water10,665592
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6670 Å2
ΔGint-13 kcal/mol
Surface area27890 Å2
MethodPISA
Unit cell
Length a, b, c (Å)74.32, 89.05, 70.67
Angle α, β, γ (deg.)90, 95.50, 90
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein pentaketide chromone synthase


Mass: 44791.531 Da / Num. of mol.: 2 / Mutation: M210G
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Aloe arborescens (plant) / Plasmid: pET24A / Production host: Escherichia coli (E. coli) / References: UniProt: Q58VP7
#2: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 592 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.6 Å3/Da / Density % sol: 52.64 %

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Data collection

Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: AR-NW12A / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Jan 27, 2005
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.6→30 Å / Num. obs: 117664 / % possible obs: 97.6 %

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Processing

SoftwareName: CNS / Version: 1.1 / Classification: refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→30 Å
RfactorNum. reflection
Rfree0.208 5939
Rwork0.192 -
obs-117664
Refinement stepCycle: LAST / Resolution: 1.6→30 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6281 0 0 592 6873

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