BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25920

Title: Structure of the Integrin alphaIIb-beta3(A711P) Transmembrane Complex   PubMed: 27436065

Deposition date: 2015-12-14 Original release date: 2016-07-28

Authors: Schmidt, Thomas; Situ, Alan; Ulmer, Tobias

Citation: Schmidt, Thomas; Situ, Alan; Ulmer, Tobias. "Structural and thermodynamic basis of proline-induced transmembrane complex stabilization"  Sci. Rep. 6, 29809-29809 (2016).

Assembly members:
entity_1, polymer, 42 residues, 4783.942 Da.
entity_2, polymer, 43 residues, 4744.895 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):
entity_1: GALEERCIPIWWVLVGVLGG LLLLTILVLAMWKVGFFKRN RP
entity_2: GESPKCPDILVVLLSVMGAI LLIGLAPLLIWKLLITIHDR KEF

Data sets:
Data typeCount
13C chemical shifts219
15N chemical shifts76
1H chemical shifts134

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 42 residues - 4783.942 Da.

1   GLYALALEUGLUGLUARGCYSILEPROILE
2   TRPTRPVALLEUVALGLYVALLEUGLYGLY
3   LEULEULEULEUTHRILELEUVALLEUALA
4   METTRPLYSVALGLYPHEPHELYSARGASN
5   ARGPRO

Entity 2, entity_2 43 residues - 4744.895 Da.

1   GLYGLUSERPROLYSCYSPROASPILELEU
2   VALVALLEULEUSERVALMETGLYALAILE
3   LEULEUILEGLYLEUALAPROLEULEUILE
4   TRPLYSLEULEUILETHRILEHISASPARG
5   LYSGLUPHE

Samples:

sample_1: entity_1, [U-15N; U-2H], 0.8 mM; entity_2 0.8 mM; DHPC 350 mM; DMPC 105 mM; NaH2PO4/Na2HPO4 25 mM; NaN3 0.02 % w/v

sample_2: entity_1 0.8 mM; entity_2, [U-15N; U-2H], 0.8 mM; DHPC 350 mM; DMPC 105 mM; NaH2PO4/Na2HPO4 25 mM; NaN3 0.02 % w/v

sample_3: entity_1, [U-99% 13C; U-99% 15N; 80% 2H], 0.8 mM; entity_2, [U-99% 13C; U-99% 15N; 80% 2H], 0.8 mM; DHPC 350 mM; DMPC 105 mM; NaH2PO4/Na2HPO4 25 mM; NaN3 0.02 % w/v

sample_conditions_1: ionic strength: 0.05 M; pH: 7.4; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3anisotropicsample_conditions_1

Software:

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

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