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- PDB-2kvo: Solution NMR structure of Photosystem II reaction center Psb28 pr... -

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Basic information

Entry
Database: PDB / ID: 2kvo
TitleSolution NMR structure of Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), Northeast Structural Genomics Consortium Target SgR171
ComponentsPhotosystem II reaction center psb28 protein
KeywordsPHOTOSYNTHESIS / Photosystem II reaction center Psb28 protein / Membrane / Photosystem II / Thylakoid / Structural Genomics / PSI-2 / Protein Structure Initiative / Northeast Structural Genomics Consortium / NESG
Function / homology
Function and homology information


plasma membrane-derived thylakoid photosystem II / photosystem II oxygen evolving complex / plasma membrane-derived thylakoid membrane / photosynthesis
Similarity search - Function
Photosystem II Psb28 / Photosystem II Psb28, class 1 / Photosystem II Psb28, class 1 superfamily / Psb28 protein / Elongation Factor Tu (Ef-tu); domain 3 / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Photosystem II reaction center Psb28 protein
Similarity search - Component
Biological speciesSynechocystis sp. (bacteria)
MethodSOLUTION NMR / simulated annealing
Model detailslowest energy, model 1
AuthorsYang, Y. / Ramelot, T.A. / Cort, J.R. / Wang, D. / Ciccosanti, C. / Hamilton, K. / Nair, R. / Rost, B. / Acton, T.B. / Xiao, R. ...Yang, Y. / Ramelot, T.A. / Cort, J.R. / Wang, D. / Ciccosanti, C. / Hamilton, K. / Nair, R. / Rost, B. / Acton, T.B. / Xiao, R. / Everett, J.K. / Montelione, G.T. / Kennedy, M.A. / Northeast Structural Genomics Consortium (NESG)
CitationJournal: Proteins / Year: 2011
Title: Solution NMR structure of photosystem II reaction center protein Psb28 from Synechocystis sp. Strain PCC 6803.
Authors: Yang, Y. / Ramelot, T.A. / Cort, J.R. / Wang, D. / Ciccosanti, C. / Hamilton, K. / Nair, R. / Rost, B. / Acton, T.B. / Xiao, R. / Everett, J.K. / Montelione, G.T. / Kennedy, M.A.
History
DepositionMar 22, 2010Deposition site: BMRB / Processing site: RCSB
Revision 1.0Apr 7, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2May 1, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Photosystem II reaction center psb28 protein


Theoretical massNumber of molelcules
Total (without water)13,6751
Polymers13,6751
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 150structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Photosystem II reaction center psb28 protein / / Photosystem II reaction center W protein / Photosystem II 13 kDa protein


Mass: 13675.436 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Synechocystis sp. (bacteria) / Strain: PCC 6803 / Description: C-tag: LEHHHHHH / Gene: psb28, psbW, sll1398 / Plasmid: pET 21-23C / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) pMGK / References: UniProt: Q55356

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
Details: Solution NMR structure Photosystem II reaction center Psb28 protein Synechocystis sp.(strain PCC 6803) Northeast Structural Genomics Consortium (NESG)
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1222D 1H-13C HSQC CT
1313D 1H-15N NOESY
1413D 1H-13C NOESY
1513D HNCO
1613D HNCA
1713D HN(CA)CB
1813D CBCA(CO)NH
1913D HN(CO)CA
11013D HBHA(CO)NH
11113D H(CCO)NH
11213D C(CO)NH
11313D (H)CCH-TOCSY
11413D (H)CCH-COSY
11533D (H)CCH-TOCSY
11634D CC NOESY
11712D 1H-15N HSQC swN150ppm

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Sample preparation

Details
Solution-IDContentsSolvent system
10.58 mM [U-100% 13C; U-100% 15N] Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), 20 mM MES, 100 mM sodium chloride, 5 mM calcium chloride, 10 mM DTT, 0.02 % sodium azide, 90% H2O/10% D2O90% H2O/10% D2O
20.44 mM [U-5% 13C; U-100% 15N] Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), 20 mM MES, 100 mM sodium chloride, 5 mM calcium chloride, 10 mM DTT, 0.02 % sodium azide, 90% H2O/10% D2O90% H2O/10% D2O
30.58 mM [U-100% 13C; U-100% 15N] Photosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803), 20 mM MES, 100 mM sodium chloride, 5 mM calcium chloride, 10 mM DTT, 0.02 % sodium azide, 100% D2O100% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
0.58 mMPhotosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)-1[U-100% 13C; U-100% 15N]1
20 mMMES-21
100 mMsodium chloride-31
5 mMcalcium chloride-41
10 mMDTT-51
0.02 %sodium azide-61
0.44 mMPhotosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)-7[U-5% 13C; U-100% 15N]2
20 mMMES-82
100 mMsodium chloride-92
5 mMcalcium chloride-102
10 mMDTT-112
0.02 %sodium azide-122
0.58 mMPhotosystem II reaction center Psb28 protein from Synechocystis sp.(strain PCC 6803)-13[U-100% 13C; U-100% 15N]3
20 mMMES-143
100 mMsodium chloride-153
5 mMcalcium chloride-163
10 mMDTT-173
0.02 %sodium azide-183
Sample conditionsIonic strength: 0.2 / pH: 6.5 / Pressure: ambient / Temperature: 293 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian INOVAVarianINOVA6001
Bruker AvanceIIIBrukerAVANCE III8502

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Processing

NMR software
NameVersionDeveloperClassification
NMRPipe2008Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
VNMR6.1CVariancollection
TopSpin2.1.4Bruker Biospincollection
AutoStructure2.2.1Huang, Tejero, Powers and Montelionedata analysis
X-PLOR NIH2.2Schwieters, Kuszewski, Tjandra and Clorestructure solution
CNS1.2Brunger, Adams, Clore, Gros, Nilges and Readrefinement
Sparky3.113Goddarddata analysis
PSVS1.4Bhattacharya and Montelionerefinement
AutoAssign2.3Zimmerman, Moseley, Kulikowski and Montelionechemical shift assignment
PdbStat5.1(PdbStat)-Roberto Tejero and Gaetano T. Montelionestructure solution
PINE Server1Bahrami, A., Assadi, A., Markley, J. L. & Eghbalnia, H.autoassignment
RefinementMethod: simulated annealing / Software ordinal: 1 / Details: Xplor-nih-2.20 with HBDB
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 150 / Conformers submitted total number: 20

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