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BMRB Entry 18404

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18404
MolProbity Validation Chart

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Title: Solution Structure of the Target Recognition Domain of Zoocin A   PubMed: 23184858

Deposition date: 2012-04-17 Original release date: 2012-04-12

Authors: Timkovich, Russell; Chen, Yinghua; Simmonds, Robin

Citation: Chen, Yinghua; Simmonds, Robin; Young, John; Timkovich, Russell. "Solution structure of the recombinant target recognition domain of zoocin A."  Proteins 81, 722-727 (2013).

Assembly members:
Target Recognition Domain of Zoocin A, polymer, 128 residues, 14089.776 Da.

Natural source:   Common Name: Streptococcus equi subspecies zooepidemicus 4881   Taxonomy ID: 40041   Superkingdom: Bacteria   Kingdom: Streptococcus   Genus/species: equi 4881

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

Entity Sequences (FASTA):
Target Recognition Domain of Zoocin A: MRGSHHHHHHGSEPTTPTTN LKIYKVDDLQKINGIWQVRN NILVPTDFTWVDNGIAADDV IEVTSNGTRTSDQVLQKGGY FVINPNNVKSVGTPMKGSGG LSWAQVNFTTGGNVWLNTTS KDNLLYGK

Data sets:
Data typeCount
13C chemical shifts501
15N chemical shifts141
1H chemical shifts763

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Target Recognition Domain of Zoocin A1

Entities:

Entity 1, Target Recognition Domain of Zoocin A 128 residues - 14089.776 Da.

1   METARGGLYSERHISHISHISHISHISHIS
2   GLYSERGLUPROTHRTHRPROTHRTHRASN
3   LEULYSILETYRLYSVALASPASPLEUGLN
4   LYSILEASNGLYILETRPGLNVALARGASN
5   ASNILELEUVALPROTHRASPPHETHRTRP
6   VALASPASNGLYILEALAALAASPASPVAL
7   ILEGLUVALTHRSERASNGLYTHRARGTHR
8   SERASPGLNVALLEUGLNLYSGLYGLYTYR
9   PHEVALILEASNPROASNASNVALLYSSER
10   VALGLYTHRPROMETLYSGLYSERGLYGLY
11   LEUSERTRPALAGLNVALASNPHETHRTHR
12   GLYGLYASNVALTRPLEUASNTHRTHRSER
13   LYSASPASNLEULEUTYRGLYLYS

Samples:

sample_1: Target Recognition Domain of Zoocin A, [U-95% 13C; U-90% 15N], 2.4 ± 0.1 mM; potassium phosphate 10 ± 0.1 mM; sodium azide 0.1 ± 0.01 mM; H2O 95%; D2O 5%

multiple: Target Recognition Domain of Zoocin A, [U-90% 15N], 0.7 – 1.4 mM; potassium phosphate 10 mM; sodium azide 0.1 mM; H2O 95%; D2O 5%

unlabeled: Target Recognition Domain of Zoocin A0.7 – 1.4 mM; potassium phosphate 10 mM; sodium azide 0.1 mM; H2O 90%; D2O 10%

exchange_samples: Target Recognition Domain of Zoocin A0.7 – 1.4 mM; potassium phosphate 10 mM; sodium azide 0.1 mM; D2O 99.8%

sample_conditions_1: ionic strength: 0.02 M; pH: 7.0; pressure: 1 atm; temperature: 297 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCmultipleisotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYunlabeledisotropicsample_conditions_1
2D DQF-COSYunlabeledisotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYmultipleisotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D CCC-TOCSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.2, Bruker Biospin - collection

CNSSOLVE v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking

PIPP, Garrett - peak picking

NMRView, Johnson, One Moon Scientific - data analysis, peak picking

SPARKY, Goddard - data analysis

ARIA v2.0, Linge, O, . - structure solution

ProcheckNMR, Laskowski and MacArthur - quality checking

TALOS, Cornilescu, Delaglio and Bax - diheral determination

PyMol v1.5.0.1, Schrodinger, LLC - molecular graphics

DeepView-Swiss_-PDBViewer, Guex, Peitsch, Schwede, and Diemand - molecular graphics

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB AAC46072 ACF59750 KIS11991
REF WP_043039484

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts