BMRB Entry 52556

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52556

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Title:
Backbone chemical shifts assignment of SPR1226
Deposition date:
2024-07-16
Original release date:
2025-01-06
Authors:
Sala, Benedetta; Sandalova, Tatyana; Agback, Tatiana; Lesovoy, Dmitri; Agback, Peter; Achour, Adnane
Citation:

Citation: Sala, Benedetta; Sandalova, Tatyana; Agback, Tatiana; Lesovoy, Dmitri; Agback, Peter; Achour, Adnane. "Crystallographic and NMR Study of Streptococcus pneumonia LCP Protein PsrSp Indicate the Importance of Dynamics in Four Long Loops for Ligand Specificity"  Crystals ., .-. (2024).

Assembly members:

Assembly members:
entity_1, polymer, 295 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Streptococcus pneumoniae   Taxonomy ID: 1313   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GQVEVFNGQDTRDGVNILIM GTDGRIGQNSVETRTDSIMV LNVGGSDKKMKLVSFMRDNL VYIDGYSQVINGRKQTDNKL NVAYELGEQEGQKGAEMVRQ VLKDNFDLDIKYYALVDFQA FATAIDTLFPDGVTIDAQFS TLNGRPLTEATVGDDLYATE TESPTQTIKVGKQQMNGSTL LNYARFRDDDEADYGRTKRQ QQVLTAILEQIKDPTKLFTG SEALGKVFAMTSTNVPYTFL LTNGLSVLDGAKNGIEKLTI PELGDWVDAYDVYGGLGLLV DQNKYQTKLAQMGLR

Data sets:
Data typeCount
13C chemical shifts712
15N chemical shifts225
1H chemical shifts224

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SPR12261

Entities:

Entity 1, SPR1226 295 residues - Formula weight is not available

1   GLYGLNVALGLUVALPHEASNGLYGLNASP
2   THRARGASPGLYVALASNILELEUILEMET
3   GLYTHRASPGLYARGILEGLYGLNASNSER
4   VALGLUTHRARGTHRASPSERILEMETVAL
5   LEUASNVALGLYGLYSERASPLYSLYSMET
6   LYSLEUVALSERPHEMETARGASPASNLEU
7   VALTYRILEASPGLYTYRSERGLNVALILE
8   ASNGLYARGLYSGLNTHRASPASNLYSLEU
9   ASNVALALATYRGLULEUGLYGLUGLNGLU
10   GLYGLNLYSGLYALAGLUMETVALARGGLN
11   VALLEULYSASPASNPHEASPLEUASPILE
12   LYSTYRTYRALALEUVALASPPHEGLNALA
13   PHEALATHRALAILEASPTHRLEUPHEPRO
14   ASPGLYVALTHRILEASPALAGLNPHESER
15   THRLEUASNGLYARGPROLEUTHRGLUALA
16   THRVALGLYASPASPLEUTYRALATHRGLU
17   THRGLUSERPROTHRGLNTHRILELYSVAL
18   GLYLYSGLNGLNMETASNGLYSERTHRLEU
19   LEUASNTYRALAARGPHEARGASPASPASP
20   GLUALAASPTYRGLYARGTHRLYSARGGLN
21   GLNGLNVALLEUTHRALAILELEUGLUGLN
22   ILELYSASPPROTHRLYSLEUPHETHRGLY
23   SERGLUALALEUGLYLYSVALPHEALAMET
24   THRSERTHRASNVALPROTYRTHRPHELEU
25   LEUTHRASNGLYLEUSERVALLEUASPGLY
26   ALALYSASNGLYILEGLULYSLEUTHRILE
27   PROGLULEUGLYASPTRPVALASPALATYR
28   ASPVALTYRGLYGLYLEUGLYLEULEUVAL
29   ASPGLNASNLYSTYRGLNTHRLYSLEUALA
30   GLNMETGLYLEUARG

Samples:

sample_1: spr1226, [U-99% 13C; U-99% 15N; U-99% 2H], 0.7 ± 0.01 mM

sample_2: spr1226, [U-99% 13C; U-99% 15N], 0.7 ± 0.01 mM

sample_3: spr1226, [U-75% 13C; U-75% 15N; U-75% 2H], 1.0 ± 0.01 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.8; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.5pl7 - collection

CcpNMR v2.2 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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