BMRB Entry 11024

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11024
MolProbity Validation Chart

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Title:
NMR STRUCTURE OF THE S. AUREUS VRAR DNA BINDING DOMAIN
Deposition date:
2008-01-08
Original release date:
2008-03-05
Authors:
Donaldson, Logan
Citation:

Citation: Donaldson, Logan. "THE NMR STRUCTURE OF STAPHYLOCOCCUS AUREUS RESPONSE REGULATOR VRAR DNA BINDING DOMAIN REVEALS A DYNAMIC RELATIONSHIP BETWEEN IT AND ITS ASSOCIATED RECEIVER DOMAIN"  Biochemistry 47, 3379-3388 (2008).
PubMed: 18293926

Assembly members:

Assembly members:
VRAR DNA binding domain, polymer, 91 residues, 7724.955 Da.

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 158878   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15

Entity Sequences (FASTA):

Entity Sequences (FASTA):
VRAR DNA binding domain: GSSHHHHHHSSGLVPRGSHM KKRAELYEMLTEREMEILLL IAKGYSNQEIASASHITIKT VKTHVSNILSKLEVQDRTQA VIYAFQHNLIQ

Data sets:
Data typeCount
13C chemical shifts262
15N chemical shifts60
1H chemical shifts330

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1VRAR DNA binding domain1

Entities:

Entity 1, VRAR DNA binding domain 91 residues - 7724.955 Da.

1   GLYSERSERHISHISHISHISHISHISSER
2   SERGLYLEUVALPROARGGLYSERHISMET
3   LYSLYSARGALAGLULEUTYRGLUMETLEU
4   THRGLUARGGLUMETGLUILELEULEULEU
5   ILEALALYSGLYTYRSERASNGLNGLUILE
6   ALASERALASERHISILETHRILELYSTHR
7   VALLYSTHRHISVALSERASNILELEUSER
8   LYSLEUGLUVALGLNASPARGTHRGLNALA
9   VALILETYRALAPHEGLNHISASNLEUILE
10   GLN

Samples:

sample_1: VRAR DNA binding domain, [U-98% 13C; U-98% 15N], 0.3 mM; sodium phosphate 10 mM; sodium chloride 750 mM; sodium azide 0.05%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.5 M; pH: 7.8; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - peak picking, structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

PISTACHIO, Eghbalnia, Bahrami, Wang, Assadi and Markley - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMRView, Johnson, One Moon Scientific - peak picking

NMR spectrometers:

  • Varian NMRS 600 MHz

Related Database Links:

BMRB 15378
PDB
EMBL CPL80688 CPZ28607 CRF96173
GB EUS58931 EVM22144

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks