BMRB Entry 51981

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51981

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Title:
Backbone chemical shifts of Amelotin at 2 kbar
Deposition date:
2023-05-28
Original release date:
2023-10-03
Authors:
Chiliveri, Sai Chaitanya; Bax, Ad
Citation:

Citation: Chiliveri, Sai Chaitanya; Shen, Yang; Baber, James; Ying, Jinfa; Sagar, Vatsala; Wistow, Graeme; Anfinrud, Philip; Bax, Ad. "Experimental NOE, Chemical Shift, and Proline Isomerization Data Provide Detailed Insights into Amelotin Oligomerization"  J. Am. Chem. Soc. 145, 18063-18074 (2023).
PubMed: 37548612

Assembly members:

Assembly members:
entity_1, polymer, 205 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MLPQLKPALGLPPTKLAPDQ GTLPNQQQSNQVFPSLSLIP LTQMLTLGPDLHLLNPAAGM TPGTQTHPLTLGGLNVQQQL HPHVLPIFVTQLGAQGTILS SEELPQIFTSLIIHSLFPGG ILPTSQAGANPDVQDGSLPA GGAGVNPATQGTPAGRLPTP SGTDDDFAVTTPAGIQRSTH AIEEATTESANGIQGSWGSH HHHHH

Data sets:
Data typeCount
13C chemical shifts376
15N chemical shifts176
1H chemical shifts176

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Amelotin1

Entities:

Entity 1, Amelotin 205 residues - Formula weight is not available

1   METLEUPROGLNLEULYSPROALALEUGLY
2   LEUPROPROTHRLYSLEUALAPROASPGLN
3   GLYTHRLEUPROASNGLNGLNGLNSERASN
4   GLNVALPHEPROSERLEUSERLEUILEPRO
5   LEUTHRGLNMETLEUTHRLEUGLYPROASP
6   LEUHISLEULEUASNPROALAALAGLYMET
7   THRPROGLYTHRGLNTHRHISPROLEUTHR
8   LEUGLYGLYLEUASNVALGLNGLNGLNLEU
9   HISPROHISVALLEUPROILEPHEVALTHR
10   GLNLEUGLYALAGLNGLYTHRILELEUSER
11   SERGLUGLULEUPROGLNILEPHETHRSER
12   LEUILEILEHISSERLEUPHEPROGLYGLY
13   ILELEUPROTHRSERGLNALAGLYALAASN
14   PROASPVALGLNASPGLYSERLEUPROALA
15   GLYGLYALAGLYVALASNPROALATHRGLN
16   GLYTHRPROALAGLYARGLEUPROTHRPRO
17   SERGLYTHRASPASPASPPHEALAVALTHR
18   THRPROALAGLYILEGLNARGSERTHRHIS
19   ALAILEGLUGLUALATHRTHRGLUSERALA
20   ASNGLYILEGLNGLYSERTRPGLYSERHIS
21   HISHISHISHISHIS

Samples:

sample_1: Amelotin, [U-13C; U-15N; U-2H], 50 uM; sodium acetate 30 mM; NaCl 70 mM

sample_conditions_1: ionic strength: 100 mM; pH: 4.6; pressure: 2000 bar; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3 - collection

NMRPipe - processing

SMILE - processing

CcpNMR - data analysis

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

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