BMRB Entry 18119

Name: ITK-SH3
Published: 2012-12-04

Click here to enlarge.

PDB ID: 2lmj
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/BMR18119
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

ITK-SH3

Deposition date:

2011-12-05

Original release date:

2012-12-04

Authors:

Kristiansen, Per Eugen; Bie Andersen, Thorny Cesilie; Huszenicza, Zsuzsi; Andreotti, Amy; Spurkland, Anne

Citation:

Citation: Andersen, Thorny Cesilie Bie; Kristiansen, Per Eugen; Huszenicza, Zsuzsa; Johansson, Maria; Gopalakrishnan, Ramakrishna Prabhu; Kjelstrup, Hanna; Boyken, Scott; Sundvold-Gjerstad, Vibeke; Granum, Stine; Sorli, Morten; Backe, Paul Hoff; Fulton, D Bruce; Karlsson, B Goran; Andreotti, Amy; Spurkland, Anne. "The SH3 domains of the protein kinases ITK and LCK compete for adjacent sites on T cell-specific adapter protein" J. Biol. Chem. 294, 15480-15494 (2019).
PubMed: 31484725

Assembly members:

Assembly members:
entity, polymer, 66 residues, 7658.411 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: pGex-6P-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPLGSPEETVVIALYDYQTN DPQELALRRNEEYCLLDSSE IHWWRVQDRNGHEGYVPSSY LVEKSP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	276
15N chemical shifts	67
1H chemical shifts	459

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ITK-SH3	1

Entities:

Entity 1, ITK-SH3 66 residues - 7658.411 Da.

1

GLY

PRO

LEU

GLY

SER

PRO

GLU

THR

VAL

2

VAL

ILE

ALA

LEU

TYR

ASP

TYR

GLN

THR

ASN

3

ASP

PRO

GLN

GLU

LEU

ALA

LEU

ARG

ASN

4

GLU

TYR

CYS

LEU

ASP

SER

GLU

5

ILE

HIS

TRP

ARG

VAL

GLN

ASP

ARG

ASN

6

GLY

HIS

GLU

GLY

TYR

VAL

PRO

SER

TYR

7

LEU

VAL

GLU

LYS

SER

PRO

Samples:

sample_1: ITK-SH3, [U-98% 13C; U-98% 15N], 1.0 ± 0.1 mM; H2O 95%; D2O, [U-98% 2H], 5%; DSS 0.2 ± 0.02 mM; potassium phosphate 20 ± 1.0 mM

sample_2: ITK-SH3, [U-98% 13C; U-98% 15N], 1.0 ± 0.1 mM; D2O, [U-99.98% 2H], 100%; DSS 0.2 ± 0.02 mM; potassium phosphate 20 ± 1.0 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

sample_conditions_3: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 288 K

sample_conditions_4: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 283 K

sample_conditions_5: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

sample_conditions_6: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HBHANH	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_3
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_4
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_5
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_6
1H	sample_1	isotropic	sample_conditions_1
1H	sample_2	isotropic	sample_conditions_1

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