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 11093

Title: Solution structure of the BTK motif of tyrosine-protein kinase ITK from human

Deposition date: 2010-01-19 Original release date: 2011-01-19

Authors: Li, H.; Tochio, N.; Koshiba, S.; Watanabe, S.; Harada, T.; Kigawa, T.; Yokoyama, S.

Citation: Li, H.; Tochio, N.; Koshiba, S.; Watanabe, S.; Harada, T.; Kigawa, T.; Yokoyama, S.. "Solution structure of the BTK motif of tyrosine-protein kinase ITK from human"  . ., .-..

Assembly members:
BTK motif, polymer, 64 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

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

Experimental source:   Production method: Cell free synthesis   Host organism: E. coli - cell free

Entity Sequences (FASTA):
BTK motif: GSSGSSGNNSLVPKYHPNFW MDGKWRCCSQLEKLATGCAQ YDPTKNASKKPLPPTPEDNR RPLW

Data sets:
Data typeCount
13C chemical shifts245
15N chemical shifts46
1H chemical shifts381

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BTK motif1
2ZINC ION2

Entities:

Entity 1, BTK motif 64 residues - Formula weight is not available

1   GLYSERSERGLYSERSERGLYASNASNSER
2   LEUVALPROLYSTYRHISPROASNPHETRP
3   METASPGLYLYSTRPARGCYSCYSSERGLN
4   LEUGLULYSLEUALATHRGLYCYSALAGLN
5   TYRASPPROTHRLYSASNALASERLYSLYS
6   PROLEUPROPROTHRPROGLUASPASNARG
7   ARGPROLEUTRP

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: BTK motif, [U-13C; U-15N], 1.12 mM; TRIS, [U-2H], 20 mM; sodium chloride 100 mM; DTT, [U-2H], 1 mM; sodium azide 0.02%; ZnCl2 50 uM; IDA 1 mM; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1isotropiccondition_1
3D 13C-separated NOESYsample_1isotropiccondition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20030801, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.932, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - structure solution

NMR spectrometers:

  • Bruker AVANCE 800 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