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 50007

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for proIAPP in DPC Micelles   PubMed: 32077246

Deposition date: 2019-08-31 Original release date: 2020-02-21

Authors: DeLisle, Charles; Malooley, Alexander; Banerjee, Indrani; Lorieau, Justin

Citation: DeLisle, Charles; Malooley, Alexander; Banerjee, Indrani; Lorieau, Justin. "Pro-Islet Amyloid Polypeptide in Micelles Contains a Helical Prohormone Segment"  FEBS J. 287, 4440-4457 (2020).

Assembly members:
entity_1, polymer, 72 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: TPIESHQVEKRKCNTATCAT QRLANFLVHSSNNFGAILSS TNVGSNTYGKRNAVEVLKRE PLNYLPLKKKKD

Data sets:
Data typeCount
13C chemical shifts459
15N chemical shifts123
1H chemical shifts550

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1proIAPP-K4D1

Entities:

Entity 1, proIAPP-K4D 72 residues - Formula weight is not available

1   THRPROILEGLUSERHISGLNVALGLULYS
2   ARGLYSCYSASNTHRALATHRCYSALATHR
3   GLNARGLEUALAASNPHELEUVALHISSER
4   SERASNASNPHEGLYALAILELEUSERSER
5   THRASNVALGLYSERASNTHRTYRGLYLYS
6   ARGASNALAVALGLUVALLEULYSARGGLU
7   PROLEUASNTYRLEUPROLEULYSLYSLYS
8   LYSASP

Samples:

sample_1: DPC 200 mM; TRIS 30 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10 v/v; sodium azide 0.03%; proIAPP-K4D, [U-100% 13C; U-100% 15N], 1.0 ± 0.2 mM

sample_2: DPC 200 mM; sodium acetate 30 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10 v/v; sodium azide 0.03%; proIAPP-K4D, [U-100% 13C; U-100% 15N], 1.0 ± 0.2 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 305 K

sample_conditions_2: pH: 4.5; pressure: 1 atm; temperature: 305 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D CBCA(CO)NHsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_2isotropicsample_conditions_2
3D HCCH-TOCSYsample_2isotropicsample_conditions_2

Software:

software_1, Keller and Wuthrich - chemical shift assignment, peak picking

software_2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

software_3, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 500 MHz

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