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 17930

Title: monophosphorylated (747pY) beta3 integrin cytoplasmic tail under membrane mimetic conditions   PubMed: 21956114

Deposition date: 2011-09-11 Original release date: 2011-10-20

Authors: Deshmukh, Lalit; Vinogradova, Olga

Citation: Deshmukh, Lalit; Meller, Nahum; Alder, Nathan; Byzova, Tatiana; Vinogradova, Olga. "Tyrosine phosphorylation as a conformational switch: a case study of integrin 3 cytoplasmic tail."  J. Biol. Chem. 286, 40943-40953 (2011).

Assembly members:
entity, polymer, 67 residues, 5666.315 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: GSSHHHHHHSSGLVPRGSHM KLLITIHDRKEFAKFEEERA RAKWDTANNPLXKEATSTFT NITYRGT

Data sets:
Data typeCount
13C chemical shifts212
15N chemical shifts50
1H chemical shifts331

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1monophosphorylated (747pY) beta3 integrin1

Entities:

Entity 1, monophosphorylated (747pY) beta3 integrin 67 residues - 5666.315 Da.

1   GLYSERSERHISHISHISHISHISHISSER
2   SERGLYLEUVALPROARGGLYSERHISMET
3   LYSLEULEUILETHRILEHISASPARGLYS
4   GLUPHEALALYSPHEGLUGLUGLUARGALA
5   ARGALALYSTRPASPTHRALAASNASNPRO
6   LEUPTRLYSGLUALATHRSERTHRPHETHR
7   ASNILETHRTYRARGGLYTHR

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.4 mM; DPC, [U-100% 2H], 150 – 300 mM; DSS 1 mM; sodium phosphate 20 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.9; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PSVS, Bhattacharya and Montelione - validation

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15552 17931 17932
PDB
DBJ BAE34283 BAJ17755
EMBL CAD29521
GB AAA35927 AAA52589 AAA52600 AAA60122 AAB27096
REF NP_000203 NP_001003162 NP_001075271 NP_001075535 NP_001193419
SP O54890 P05106
TPG DAA18403

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