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 30657

Title: Solution Structure of a Heat-Resistant Long-Acting Insulin Analog

Deposition date: 2019-08-23 Original release date: 2020-08-21

Authors: Yang, Y.; Weiss, M.

Citation: Weiss, M.; Yang, Y.. "Solution Structure of a Heat-Resistant Long-Acting Insulin Analog"  . ., .-..

Assembly members:
entity_1, polymer, 59 residues, 6787.704 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: Komagataella phaffii GS115

Entity Sequences (FASTA):
entity_1: FVNQHLCGSHLVEALYLVCG ERGFFYTPRTEEGSRRSRGI VEQCCRSICSLYQLENYCG

Data sets:
Data typeCount
15N chemical shifts60
1H chemical shifts396

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 59 residues - 6787.704 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRPROARGTHR
4   GLUGLUGLYSERARGARGSERARGGLYILE
5   VALGLUGLNCYSCYSARGSERILECYSSER
6   LEUTYRGLNLEUGLUASNTYRCYSGLY

Samples:

sample_1: insulin, [U-99% 15N], 1 mM

sample_2: Single-chain insulin 1 mM

sample_conditions_2: ionic strength: 0 mM; pH: 3.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_2
3D 1H-15N TOCSYsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2anisotropicsample_conditions_2
2D 1H-1H NOESYsample_2anisotropicsample_conditions_2

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

PIPP, Garrett - data analysis

TopSpin, Bruker Biospin - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE 700 MHz

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