BMRB Entry 50543

Name: Chemical shift assignment of the SH3 domain of human Caskin1
Published: 2021-01-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50543

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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:

Chemical shift assignment of the SH3 domain of human Caskin1

Deposition date:

2020-11-01

Original release date:

2021-01-26

Authors:

Toke, Orsolya; Koprivanacz, Kitti; Radnai, Laszlo; Mero, Balazs; Juhasz, Tunde; Liliom, Karoly; Buday, Laszlo

Citation:

Citation: Toke, Orsolya; Koprivanacz, Kitti; Radnai, Laszlo; Mero, Balazs; Juhasz, Tunde; Liliom, Karoly; Buday, Laszlo. "Solution NMR Structure of the SH3 Domain of Human Caskin1 Validates the Lack of a Typical Peptide Binding Groove and Supports a Role in Lipid Mediator Binding" Cells 10, 173-173 (2021).
PubMed: 33467043

Assembly members:

Assembly members:
entity_1, polymer, 67 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: recombinant technology Host organism: Escherichia coli Vector: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMLQVRATKDYCNNYDLT SLNVKAGDIITVLEQHPDGR WKGCIHDNRTGNDRVGYFPS SLGEAIV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	101
15N chemical shifts	69
1H chemical shifts	400

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	human caskin1 SH3 monomer	1

Entities:

Entity 1, human caskin1 SH3 monomer 67 residues - Formula weight is not available

The SH3 domain of human caskin 1 Uniprot: Q8WXD9, Residues: 284-346) Residues 1-4 are from the expression vector.

1

GLY

SER

HIS

MET

LEU

GLN

VAL

ARG

ALA

THR

2

LYS

ASP

TYR

CYS

ASN

TYR

ASP

LEU

THR

3

SER

LEU

ASN

VAL

LYS

ALA

GLY

ASP

ILE

4

THR

VAL

LEU

GLU

GLN

HIS

PRO

ASP

GLY

ARG

5

TRP

LYS

GLY

CYS

ILE

HIS

ASP

ASN

ARG

THR

6

GLY

ASN

ASP

ARG

VAL

GLY

TYR

PHE

PRO

SER

7

SER

LEU

GLY

GLU

ALA

ILE

VAL

Samples:

sample_1: human caskin1 SH3, [U-13C; U-15N], 0.6 ± 0.1 mM; K-phosphate 20 mM; KCl 100 mM; NaN3 0.05%; TCEP 0.1 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7.2; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CC-TOCSY-NNH	sample_1	isotropic	sample_conditions_1
3D HCC-TOCSY-NNH	sample_1	isotropic	sample_conditions_1
3D g-HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 15N-NOESY-HSQC	sample_1	isotropic	sample_conditions_1

Software:

VNMRj v2.2 - collection

Felix (Accelrys) - chemical shift assignment

NMR spectrometers:

Varian Uniform NMR System 600 MHz MHz