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- PDB-2kqa: The solution structure of the fungal elicitor Cerato-Platanin -

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Basic information

Entry
Database: PDB / ID: 2kqa
TitleThe solution structure of the fungal elicitor Cerato-Platanin
ComponentsCerato-platanin
KeywordsTOXIN / elicitor / Secreted
Function / homology
Function and homology information


toxin activity / extracellular region
Similarity search - Function
Cerato-platanin / Cerato-platanin / RlpA-like domain / RlpA-like domain superfamily / Barwin-like endoglucanases / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Biological speciesCeratocystis platani (fungus)
MethodSOLUTION NMR / simulated annealing
Model detailslowest energy, model 1
AuthorsOliveira, A.L. / Gallo, M. / Pazzagli, L. / Cappugi, G. / Scala, A. / Cicero, D.O. / Pantera, B. / Spisni, A. / Benedetti, C.E. / Pertinhez, T.A.
CitationJournal: To be Published
Title: The solution structure of the fungal elicitor Cerato-Platanin
Authors: Oliveira, A.L. / Gallo, M. / Pazzagli, L. / Cappugi, G. / Scala, A. / Cicero, D.O. / Pantera, B. / Spisni, A. / Benedetti, C.E. / Pertinhez, T.A.
History
DepositionNov 3, 2009Deposition site: BMRB / Processing site: RCSB
Revision 1.0Mar 23, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Cerato-platanin


Theoretical massNumber of molelcules
Total (without water)13,4361
Polymers13,4361
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 500structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Cerato-platanin


Mass: 13435.853 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Ceratocystis platani (fungus) / Plasmid: pPIC9 / Production host: Pichia pastoris (fungus) / References: UniProt: P81702

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1212D 1H-13C HSQC
1313D CBCA(CO)NH
1413D HNCO
1513D HNCA
1613D HN(CA)CB
1713D CBCA(CO)NH
1813D HN(CO)CA
1913D 1H-15N TOCSY
11013D 1H-13C NOESY
11113D 1H-15N NOESY
11212D 1H-15N HSQC
11313D HACACO

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Sample preparation

DetailsContents: 0.7 mM [U-100% 13C; U-100% 15N] Cerato-Platanin, 95% H2O/5% D2O
Solvent system: 95% H2O/5% D2O
SampleConc.: 0.7 mM / Component: Cerato-Platanin-1 / Isotopic labeling: [U-100% 13C; U-100% 15N]
Sample conditionsIonic strength: 10 / pH: 5.8 / Pressure: ambient / Temperature: 293 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AvanceBrukerAvance7001
Varian INOVAVarianINOVA6002
Varian INOVAVarianINOVA5003

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Processing

NMR software
NameDeveloperClassification
X-PLOR_NIHSchwieters, Kuszewski, Tjandra and Clorerefinement
NMRViewJohnson, One Moon Scientificdata analysis
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
AQUARullmann, Doreleijers and Kapteindata analysis
ProcheckNMRLaskowski and MacArthurdata analysis
TALOSCornilescu, Delaglio and Baxgeometry optimization
RefinementMethod: simulated annealing / Software ordinal: 1 / Details: Slightly modified to incorporate RDCs
NMR constraintsNOE constraints total: 3203 / NOE intraresidue total count: 1094 / NOE long range total count: 991 / NOE medium range total count: 406 / NOE sequential total count: 712
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 500 / Conformers submitted total number: 20

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