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 17576

Title: 1H, 13C, and 15N assignments of wild-type gamma-S crystallin   PubMed: 21244846

Deposition date: 2011-04-06 Original release date: 2011-05-12

Authors: Brubaker, William; Martin, Rachel

Citation: Brubaker, William; Freites, J. Alfredo; Golchert, Kory; Shapiro, Rebecca; Morikis, Vasilios; Tobias, Douglas; Martin, Rachel. "Separating instability from aggregation propensity in S-crystallin variants."  Biophys. J. 100, 498-506 (2011).

Assembly members:
gamma-S-WT, polymer, 178 residues, 20932.6 Da.

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   Vector: pET28a(+)

Entity Sequences (FASTA):
gamma-S-WT: GSKTGTKITFYEDKNFQGRR YDCDCDCADFHTYLSRCNSI KVEGGTWAVYERPNFAGYMY ILPQGEYPEYQRWMGLNDRL SSCRAVHLPSGGQYKIQIFE KGDFSGQMYETTEDCPSIME QFHMREIHSCKVLEGVWIFY ELPNYRGRQYLLDKKEYRKP IDWGAASPAVQSFRRIVE

Data sets:
Data typeCount
13C chemical shifts727
15N chemical shifts183
1H chemical shifts1097

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1gamma-S-WT1

Entities:

Entity 1, gamma-S-WT 178 residues - 20932.6 Da.

Full length wild-type gamma-S crystallin, an M1G substitution.

1   GLYSERLYSTHRGLYTHRLYSILETHRPHE
2   TYRGLUASPLYSASNPHEGLNGLYARGARG
3   TYRASPCYSASPCYSASPCYSALAASPPHE
4   HISTHRTYRLEUSERARGCYSASNSERILE
5   LYSVALGLUGLYGLYTHRTRPALAVALTYR
6   GLUARGPROASNPHEALAGLYTYRMETTYR
7   ILELEUPROGLNGLYGLUTYRPROGLUTYR
8   GLNARGTRPMETGLYLEUASNASPARGLEU
9   SERSERCYSARGALAVALHISLEUPROSER
10   GLYGLYGLNTYRLYSILEGLNILEPHEGLU
11   LYSGLYASPPHESERGLYGLNMETTYRGLU
12   THRTHRGLUASPCYSPROSERILEMETGLU
13   GLNPHEHISMETARGGLUILEHISSERCYS
14   LYSVALLEUGLUGLYVALTRPILEPHETYR
15   GLULEUPROASNTYRARGGLYARGGLNTYR
16   LEULEUASPLYSLYSGLUTYRARGLYSPRO
17   ILEASPTRPGLYALAALASERPROALAVAL
18   GLNSERPHEARGARGILEVALGLU

Samples:

gs-WT: gamma-S-WT, [U-100% 13C; U-100% 15N], 2.11 mM; acetic acid 10 mM; sodium azide 0.05%; D2O, [U-2H], 10%; TSP, [2,2,3,3-d4], 2 mM

sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCgs-WTisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticgs-WTisotropicsample_conditions_1
2D 1H-13C HSQC aromaticgs-WTisotropicsample_conditions_1
3D HNCOgs-WTisotropicsample_conditions_1
3D HNCACBgs-WTisotropicsample_conditions_1
3D CBCA(CO)NHgs-WTisotropicsample_conditions_1
3D HCCH-COSYgs-WTisotropicsample_conditions_1
3D HCCH-TOCSYgs-WTisotropicsample_conditions_1
3D 1H-15N NOESYgs-WTisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticgs-WTisotropicsample_conditions_1
3D 1H-13C NOESY aromaticgs-WTisotropicsample_conditions_1

Software:

VNMR, Varian - collection

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

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

BMRB 17582
PDB
DBJ BAG36855
GB AAD45901 AAF72490 AAH69478 AAH70241 ADQ32938
REF NP_060011 XP_001092090 XP_002758251 XP_003256655 XP_003894751
SP P22914
AlphaFold P22914

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