BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19624

Title: 1H and 15N chemical shift assignments for circular sortase A

Deposition date: 2013-11-20 Original release date: 2013-12-20

Authors: Jaudzems, Kristaps; Zhulenkovs, Dmitrijs

Citation: Zhulenkovs, Dmitrijs; Jaudzems, Kristaps; Zajakina, Anna; Leonchiks, Ainars. "1H and 15N chemical shift assignments for circular sortase A"  to be published ., .-..

Assembly members:
circular_sortase_A, polymer, 156 residues, Formula weight is not available

Natural source:   Common Name: firmicutes   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: Firmicutes   Genus/species: Staphylococcus aureus

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

Entity Sequences (FASTA):
circular_sortase_A: QAKPQIPKDKSKVAGYIEIP DADIKEPVYPGPATPEQLNR GVSFAEENESLDDQNISIAG HTFIDRPNYQFTNLKAAKKG SMVYFKVGNETRKYKMTSIR DVKPTDVEVLDEQKGKDKQL TLITCDDYNEKTGVWEKRKI FVATEVKTRESGSIEF

Data sets:
Data typeCount
15N chemical shifts159
1H chemical shifts892

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1circular sortase A1

Entities:

Entity 1, circular sortase A 156 residues - Formula weight is not available

Residues 148-156 represent a non-native linker connecting the N- and C-termini of the catalytic domain (residues 59-206) of full length sortase A

1   GLNALALYSPROGLNILEPROLYSASPLYS
2   SERLYSVALALAGLYTYRILEGLUILEPRO
3   ASPALAASPILELYSGLUPROVALTYRPRO
4   GLYPROALATHRPROGLUGLNLEUASNARG
5   GLYVALSERPHEALAGLUGLUASNGLUSER
6   LEUASPASPGLNASNILESERILEALAGLY
7   HISTHRPHEILEASPARGPROASNTYRGLN
8   PHETHRASNLEULYSALAALALYSLYSGLY
9   SERMETVALTYRPHELYSVALGLYASNGLU
10   THRARGLYSTYRLYSMETTHRSERILEARG
11   ASPVALLYSPROTHRASPVALGLUVALLEU
12   ASPGLUGLNLYSGLYLYSASPLYSGLNLEU
13   THRLEUILETHRCYSASPASPTYRASNGLU
14   LYSTHRGLYVALTRPGLULYSARGLYSILE
15   PHEVALALATHRGLUVALLYSTHRARGGLU
16   SERGLYSERILEGLUPHE

Samples:

sample_1: circular sortase A, [U-100% 15N], 0.5 mM; sodium phosphate 10 mM; sodium chloride 20 mM; D2O, [U-100% 2H], 5%; H2O, [U-100% 2H], 95%

sample_conditions_1: ionic strength: 0.0363 M; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

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

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16270 19826
PDB
DBJ BAB43619 BAB58690 BAB96313 BAF68698 BAF79395
EMBL CAG41587 CAG44229 CAI82090 CAQ50958 CBI50513
GB AAD48437 AAW37316 ABD22861 ABD31836 ABQ50328
REF WP_000759357 WP_000759358 WP_000759359 WP_000759360 WP_000759361

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