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 17433

Title: Structure of the Integrin beta3(A711P,K716A) Transmembrane Segment   PubMed: 22178926

Deposition date: 2011-01-27 Original release date: 2011-12-20

Authors: Schmidt, Thomas; Ulmer, Tobias

Citation: Kim, Chungho; Schmidt, Thomas; Cho, Eun-Gyung; Ye, Feng; Ulmer, Tobias; Ginsberg, Mark. "Basic amino-acid side chains regulate transmembrane integrin signalling."  Nature 481, 209-213 (2012).

Assembly members:
Integrin_beta3, polymer, 43 residues, 4680.770 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

Entity Sequences (FASTA):
Integrin_beta3: PESPKGPDILVVLLSVMGAI LLIGLAPLLIWALLITIHDR KEF

Data sets:
Data typeCount
13C chemical shifts118
15N chemical shifts38
1H chemical shifts38

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Integrin_beta31

Entities:

Entity 1, Integrin_beta3 43 residues - 4680.770 Da.

1   PROGLUSERPROLYSGLYPROASPILELEU
2   VALVALLEULEUSERVALMETGLYALAILE
3   LEULEUILEGLYLEUALAPROLEULEUILE
4   TRPALALEULEUILETHRILEHISASPARG
5   LYSGLUPHE

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N; U-80% 2H], 0.5 mM; DHPC 350 mM; POPC 105 mM; HEPES 25 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.025 M; pH: 7.4; pressure: 1 atm; temperature: 308.2 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
triple resonancesample_1isotropicsample_conditions_1
quant j correlationsample_1isotropicsample_conditions_1
quant j correlationsample_1anisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

PDB

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