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 50231

Title: BRCA1 219-504 Chemical Shift Assignment   PubMed: 32583165

Deposition date: 2020-04-12 Original release date: 2020-06-24

Authors: Gorka, Michal; Zerko, Szymon; Konrat, Robert; Kozminski, Wiktor; Kurzbach, Dennis

Citation: Gorka, Michal; Zerko, Szymon; Konrat, Robert; Kozminski, Wiktor; Kurzbach, Dennis. "1H, 13C and 15N backbone resonance assignment of BRCA1 fragment 219-504"  Biomol. NMR Assign. 14, 289-293 (2020).

Assembly members:
entity_1, polymer, 286 residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity_1: DSAKKAACEFSETDVTNTEH HQPSNNDLNTTEKRAAERHP EKYQGSSVSNLHVEPCGTNT HASSLQHENSSLLLTKDRMN VEKAEFCNKSKQPGLARSQH NRWAGSKETCNDRRTPSTEK KVDLNADPLCERKEWNKQKL PCSENPRDTEDVPWITLNSS IQKVNEWFSRSDELLGSDDS HDGESESNAKVADVLDVLNE VDEYSGSSEKIDLLASDPHE ALICKSERVHSKSVESNIED KIFGKTYRKKASLPNLSHVT ENLIIGAFVTEPQIIQERPL TNKLKR

Data sets:
Data typeCount
13C chemical shifts752
15N chemical shifts255
1H chemical shifts984

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BRCA11

Entities:

Entity 1, BRCA1 286 residues - Formula weight is not available

1   ASPSERALALYSLYSALAALACYSGLUPHE
2   SERGLUTHRASPVALTHRASNTHRGLUHIS
3   HISGLNPROSERASNASNASPLEUASNTHR
4   THRGLULYSARGALAALAGLUARGHISPRO
5   GLULYSTYRGLNGLYSERSERVALSERASN
6   LEUHISVALGLUPROCYSGLYTHRASNTHR
7   HISALASERSERLEUGLNHISGLUASNSER
8   SERLEULEULEUTHRLYSASPARGMETASN
9   VALGLULYSALAGLUPHECYSASNLYSSER
10   LYSGLNPROGLYLEUALAARGSERGLNHIS
11   ASNARGTRPALAGLYSERLYSGLUTHRCYS
12   ASNASPARGARGTHRPROSERTHRGLULYS
13   LYSVALASPLEUASNALAASPPROLEUCYS
14   GLUARGLYSGLUTRPASNLYSGLNLYSLEU
15   PROCYSSERGLUASNPROARGASPTHRGLU
16   ASPVALPROTRPILETHRLEUASNSERSER
17   ILEGLNLYSVALASNGLUTRPPHESERARG
18   SERASPGLULEULEUGLYSERASPASPSER
19   HISASPGLYGLUSERGLUSERASNALALYS
20   VALALAASPVALLEUASPVALLEUASNGLU
21   VALASPGLUTYRSERGLYSERSERGLULYS
22   ILEASPLEULEUALASERASPPROHISGLU
23   ALALEUILECYSLYSSERGLUARGVALHIS
24   SERLYSSERVALGLUSERASNILEGLUASP
25   LYSILEPHEGLYLYSTHRTYRARGLYSLYS
26   ALASERLEUPROASNLEUSERHISVALTHR
27   GLUASNLEUILEILEGLYALAPHEVALTHR
28   GLUPROGLNILEILEGLNGLUARGPROLEU
29   THRASNLYSLEULYSARG

Samples:

sample_1: BRCA1 fragment 219-504, [U-100% 13C; U-100% 15N], 0.3 mM; D2O 10%; MES 20 mM; beta-mercaptoethanol 1 mM; sodium chloride 100 mM; arginine hydrocholride 100 mM

sample_conditions_1: ionic strength: 0.23 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
5D HN(CA)CONHsample_1isotropicsample_conditions_1
4D H(NCA)CONHsample_1isotropicsample_conditions_1
4D (H)N(CA)CONHsample_1isotropicsample_conditions_1
5D HabCabCONHsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment, data analysis

TSAR - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

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