BMRB Entry 11093

Name: Solution structure of the BTK motif of tyrosine-protein kinase ITK from human
Published: 2011-01-19

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PDB ID: 2e6i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11093
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

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:

Assembly members:
BTK motif, polymer, 64 residues, Formula weight is not available
ZN, non-polymer, 65.409 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: Cell free synthesis Host organism: E. coli - cell free Vector: P060123-02

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	245
15N chemical shifts	46
1H chemical shifts	381

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BTK motif	1
2	ZINC ION	2

Entities:

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

1

GLY

SER

GLY

SER

GLY

ASN

SER

2

LEU

VAL

PRO

LYS

TYR

HIS

PRO

ASN

PHE

TRP

3

MET

ASP

GLY

LYS

TRP

ARG

CYS

SER

GLN

4

LEU

GLU

LYS

LEU

ALA

THR

GLY

CYS

ALA

GLN

5

TYR

ASP

PRO

THR

LYS

ASN

ALA

SER

LYS

6

PRO

LEU

PRO

THR

PRO

GLU

ASP

ASN

ARG

7

ARG

PRO

LEU

TRP

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:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_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