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 27020

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human BetaB2-crystallin   PubMed: 28238532

Deposition date: 2017-02-01 Original release date: 2017-03-31

Authors: Xi, Zhaoyong; Whitley, Matthew; Gronenborn, Angela

Citation: Xi, Zhaoyong; Whitley, Matthew; Gronenborn, Angela. "Human betaB2-Crystallin Forms a Face-en-Face Dimer in Solution: An Integrated NMR and SAXS Study"  Structure 25, 496-505 (2017).

Assembly members:
human_betaB2-crystallin, polymer, 204 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):
human_betaB2-crystallin: ASDHQTQAGKPQSLNPKIII FEQENFQGHSHELNGPCPNL KETGVEKAGSVLVQAGPWVG YEQANCKGEQFVFEKGEYPR WDSWTSSRRTDSLSSLRPIK VDSQEHKIILYENPNFTGKK MEIIDDDVPSFHAHGYQEKV SSVRVQSGTWVGYQYPGYRG LQYLLEKGDYKDSSDFGAPH PQVQSVRRIRDMQWHQRGAF HPSN

Data sets:
Data typeCount
13C chemical shifts322
15N chemical shifts162
1H chemical shifts162

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1human betaB2-crystallin, chain 11
2human betaB2-crystallin, chain 21

Entities:

Entity 1, human betaB2-crystallin, chain 1 204 residues - Formula weight is not available

1   ALASERASPHISGLNTHRGLNALAGLYLYS
2   PROGLNSERLEUASNPROLYSILEILEILE
3   PHEGLUGLNGLUASNPHEGLNGLYHISSER
4   HISGLULEUASNGLYPROCYSPROASNLEU
5   LYSGLUTHRGLYVALGLULYSALAGLYSER
6   VALLEUVALGLNALAGLYPROTRPVALGLY
7   TYRGLUGLNALAASNCYSLYSGLYGLUGLN
8   PHEVALPHEGLULYSGLYGLUTYRPROARG
9   TRPASPSERTRPTHRSERSERARGARGTHR
10   ASPSERLEUSERSERLEUARGPROILELYS
11   VALASPSERGLNGLUHISLYSILEILELEU
12   TYRGLUASNPROASNPHETHRGLYLYSLYS
13   METGLUILEILEASPASPASPVALPROSER
14   PHEHISALAHISGLYTYRGLNGLULYSVAL
15   SERSERVALARGVALGLNSERGLYTHRTRP
16   VALGLYTYRGLNTYRPROGLYTYRARGGLY
17   LEUGLNTYRLEULEUGLULYSGLYASPTYR
18   LYSASPSERSERASPPHEGLYALAPROHIS
19   PROGLNVALGLNSERVALARGARGILEARG
20   ASPMETGLNTRPHISGLNARGGLYALAPHE
21   HISPROSERASN

Samples:

sample_1: human betaB2-crystallin, [U-13C; U-15N; U-2H], 0.625 mM; sodium phosphate buffer 25 mM; EDTA 1 mM; DTT 5 mM

sample_conditions_1: ionic strength: 0.025 M; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

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

Analysis, CCPN - 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