BMRB Entry 10211

Name: Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK
Published: 2009-03-18

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PDB ID: 2yuq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR10211
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK

Deposition date:

2008-03-18

Original release date:

2009-03-18

Authors:

Abe, H.; Miyamoto, K.; Tochio, N.; Sato, M.; Koshiba, S.; Harada, T.; Watanabe, S.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Abe, H.; Miyamoto, K.; Tochio, N.; Sato, M.; Koshiba, S.; Harada, T.; Watanabe, S.; Kigawa, T.; Yokoyama, S.. "Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK" .

Assembly members:

Assembly members:
SH3 domain, polymer, 85 residues, Formula weight is not available

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 Vector: P060821-01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSSGSSGEDNRRPLWEPEET VVIALYDYQTNDPQELALRR NEEYCLLDSSEIHWWRVQDR NGHEGYVPSSYLVEKSPNNL ETYEW

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	365
15N chemical shifts	86
1H chemical shifts	559

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3 domain	1

Entities:

Entity 1, SH3 domain 85 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

GLU

ASP

ASN

2

ARG

PRO

LEU

TRP

GLU

PRO

GLU

THR

3

VAL

ILE

ALA

LEU

TYR

ASP

TYR

GLN

THR

4

ASN

ASP

PRO

GLN

GLU

LEU

ALA

LEU

ARG

5

ASN

GLU

TYR

CYS

LEU

ASP

SER

6

GLU

ILE

HIS

TRP

ARG

VAL

GLN

ASP

ARG

7

ASN

GLY

HIS

GLU

GLY

TYR

VAL

PRO

SER

8

TYR

LEU

VAL

GLU

LYS

SER

PRO

ASN

LEU

9

GLU

THR

TYR

GLU

TRP

Samples:

sample_1: SH3 domain, [U-13C; U-15N], 1.20 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 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 v20031121, Delaglio, F - processing

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

Kujira v0.9747, Kobayashi, N. - data analysis

CYANA v2.0.17, Guentert, P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

BMRB	18119
PDB	2LMJ 2YUQ
DBJ	BAA02873 BAD92859 BAG35699 BAJ20704
GB	AAA36748 AAB28072 AAI09078 AAI09079 AAQ02517
REF	NP_001253373 NP_005537 XP_001136073 XP_002744141 XP_003268620
SP	Q08881
AlphaFold	Q08881