BMRB Entry 17931

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17931
MolProbity Validation Chart

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Title:
biphosphorylated (747pY, 759pY) beta3 integrin cytoplasmic tail under membrane mimetic conditions
Deposition date:
2011-09-11
Original release date:
2011-10-20
Authors:
Deshmukh, Lalit; Vinogradova, Olga
Citation:

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).
PubMed: 21956114

Assembly members:

Assembly members:
biphosphorylated_beta3_integrin, polymer, 67 residues, 5746.294 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
biphosphorylated_beta3_integrin: GSSHHHHHHSSGLVPRGSHM KLLITIHDRKEFAKFEEERA RAKWDTANNPLXKEATSTFT NITXRGT

Data sets:
Data typeCount
13C chemical shifts213
15N chemical shifts48
1H chemical shifts329

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1biphosphorylated (747pY, 759pY) beta3 integrin1

Entities:

Entity 1, biphosphorylated (747pY, 759pY) beta3 integrin 67 residues - 5746.294 Da.

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

Samples:

sample_1: biphosphorylated_beta3_integrin, [U-100% 13C; U-100% 15N], 0.2 mM; DSS 1 mM; DPC, [U-100% 2H], 150 – 300 mM; sodium phosphate 20 mM; D2O 95%; H2O 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 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

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

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

PSVS, Bhattacharya and Montelione - validation

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian compact 800 MHz

Related Database Links:

BMRB 17930 17932
PDB
GB AAB27097

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks