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- PDB-2l3u: Solution Structure of Domain IV from the YbbR family protein of D... -

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Basic information

Entry
Database: PDB / ID: 2l3u
TitleSolution Structure of Domain IV from the YbbR family protein of Desulfitobacterium hafniense: Northeast Structural Genomics Consortium target DhR29A
ComponentsYbbR family protein
KeywordsSTRUCTURAL GENOMICS / UNKNOWN FUNCTION / beta strand / figure eight / figure 8 / PSI-Biology / Protein Structure Initiative / Northeast Structural Genomics Consortium / NESG
Function / homologyRNA Polymerase Alpha Subunit; Chain A, domain 2 - #30 / YbbR-like / YbbR-like protein / RNA Polymerase Alpha Subunit; Chain A, domain 2 / Beta Complex / Mainly Beta / YbbR family protein
Function and homology information
Biological speciesDesulfitobacterium hafniense (bacteria)
MethodSOLUTION NMR / simulated annealing
Model detailsfewest violations, model 1
AuthorsBarb, A.W. / Lee, H. / Belote, R.L. / Ciccosanti, C. / Hamilton, K. / Acton, T.B. / Xiao, R. / Everett, J.K. / Montelione, G.T. / Prestegard, J.H. / Northeast Structural Genomics Consortium (NESG)
CitationJournal: Protein Sci. / Year: 2011
Title: Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Authors: Barb, A.W. / Cort, J.R. / Seetharaman, J. / Lew, S. / Lee, H.W. / Acton, T. / Xiao, R. / Kennedy, M.A. / Tong, L. / Montelione, G.T. / Prestegard, J.H.
History
DepositionSep 23, 2010Deposition site: BMRB / Processing site: RCSB
SupersessionOct 6, 2010ID: 2KPS
Revision 1.0Oct 6, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 22, 2012Group: Structure summary
Revision 1.3May 1, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_nmr_software / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: YbbR family protein


Theoretical massNumber of molelcules
Total (without water)11,2691
Polymers11,2691
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)10 / 200back calculated data agree with experimental NOESY spectrum
RepresentativeModel #1fewest violations

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Components

#1: Protein YbbR family protein


Mass: 11269.006 Da / Num. of mol.: 1 / Fragment: sequence database residues 321-409
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Desulfitobacterium hafniense (bacteria)
Strain: DCB-2 / DSM 10664 / Gene: Dhaf_0833 / Production host: Escherichia coli (E. coli) / References: UniProt: B8FX10

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-15N HSQC
1213D HN(CA)CB
1313D HN(CO)CA
1413D H(CCO)NH
1513D (H)CCH-TOCSY
1613D 1H-15N NOESY
1713D 1H-13C NOESY
1813D HNCO
1922D 1H-15N HSQC
11023D HNCO
11132D 1H-15N HSQC

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Sample preparation

Details
Solution-IDContentsSolvent system
11 mM [U-100% 13C; U-100% 15N] DhR29a, 200 mM sodium chloride, 10 % D2O, 90% H2O/10% D2O90% H2O/10% D2O
21 mM [U-13C] DhR29a, 10 % D2O, 200 mM sodium chloride, 1 mg Pf1 phage, 90% H2O/10% D2O90% H2O/10% D2O
31 mM DhR29a, 200 mM sodium chloride, 10 % D2O, 7 % acrylamide, 90% H2O/10% D2O90% H2O/10% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
1 mMDhR29a-1[U-100% 13C; U-100% 15N]1
200 mMsodium chloride-21
10 %D2O-31
1 mMDhR29a-4[U-13C]2
10 %D2O-52
200 mMsodium chloride-62
1 mg/mLPf1 phage-72
1 mMDhR29a-83
200 mMsodium chloride-93
10 %D2O-103
7 %acrylamide-113
Sample conditionsIonic strength: 0.2 / pH: 6.5 / Pressure: ambient / Temperature: 298 K

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NMR measurement

NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz

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Processing

NMR software
NameDeveloperClassification
VnmrJVariancollection
NMRViewJohnson, One Moon Scientificchemical shift assignment
NMRViewJohnson, One Moon Scientificdata analysis
CYANAGuntert, Mumenthaler and Wuthrichstructure solution
X-PLOR NIHSchwieters, Kuszewski, Tjandra and Clorerefinement
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
RefinementMethod: simulated annealing / Software ordinal: 1
Details: refinement completed using XPLOR-NIH and 3 RDC datasets, NOE list, and dihedral angle constraints
NMR representativeSelection criteria: fewest violations
NMR ensembleConformer selection criteria: back calculated data agree with experimental NOESY spectrum
Conformers calculated total number: 200 / Conformers submitted total number: 10

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