BMRB Entry 27165

Name: Chemical Shift Assignments of the partially deuterated Fyn SH2-SH3 domain
Published: 2017-12-14

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27165

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: Chemical Shift Assignments of the partially deuterated Fyn SH2-SH3 domain PubMed: 29224116

Deposition date: 2017-06-30 Original release date: 2017-12-14

Authors: Kieken, Fabien; Loth, Karine; Van Nuland, Nico; Tompa, Peter; Lenaerts, TOM

Citation: Kieken, Fabien; Loth, Karine; Van Nuland, Nico; Tompa, Peter; Lenaerts, TOM. "Chemical shift assignments of the partially deuterated Fyn SH2-SH3 domain" Biomol. NMR Assign. 12, 117-122 (2018).

Assembly members:
Fyn_Human_SH3-SH2, polymer, 171 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet15b

Entity Sequences (FASTA):
Fyn_Human_SH3-SH2: GSHMTGVTLFVALYDYEART EDDLSFHKGEKFQILNSSEG DWWEARSLTTGETGYIPSNY VAPVDSIQAEEWYFGKLGRK DAERQLLSFGNPRGTFLIRE SETTKGAYSLSIRDWDDMKG DHVKHYKIRKLDNGGYYITT RAQFETLQQLVQHYSERAAG LCCRLVVPCHK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	750
15N chemical shifts	179
1H chemical shifts	1160

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fyn-SH3SH2	1

Entities:

Entity 1, Fyn-SH3SH2 171 residues - Formula weight is not available

1

GLY

SER

HIS

MET

THR

GLY

VAL

THR

LEU

PHE

2

VAL

ALA

LEU

TYR

ASP

TYR

GLU

ALA

ARG

THR

3

GLU

ASP

LEU

SER

PHE

HIS

LYS

GLY

GLU

4

LYS

PHE

GLN

ILE

LEU

ASN

SER

GLU

GLY

5

ASP

TRP

GLU

ALA

ARG

SER

LEU

THR

6

GLY

GLU

THR

GLY

TYR

ILE

PRO

SER

ASN

TYR

7

VAL

ALA

PRO

VAL

ASP

SER

ILE

GLN

ALA

GLU

8

GLU

TRP

TYR

PHE

GLY

LYS

LEU

GLY

ARG

LYS

9

ASP

ALA

GLU

ARG

GLN

LEU

SER

PHE

GLY

10

ASN

PRO

ARG

GLY

THR

PHE

LEU

ILE

ARG

GLU

11

SER

GLU

THR

LYS

GLY

ALA

TYR

SER

LEU

12

SER

ILE

ARG

ASP

TRP

ASP

MET

LYS

GLY

13

ASP

HIS

VAL

LYS

HIS

TYR

LYS

ILE

ARG

LYS

14

LEU

ASP

ASN

GLY

TYR

ILE

THR

15

ARG

ALA

GLN

PHE

GLU

THR

LEU

GLN

LEU

16

VAL

GLN

HIS

TYR

SER

GLU

ARG

ALA

GLY

17

LEU

CYS

ARG

LEU

VAL

PRO

CYS

HIS

18

LYS

Samples:

sample_1: Fyn Human SH3-SH2, U-100% 15N, U-100% 13C, 60% 2H, 800 uM; sodium phosphate 50 mM; sodium sulfate 100 mM; B mercapto ethanol 2 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 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 HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN, Bruker Biospin - processing

CCPNMR, CCPN - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz
Bruker Avance 700 MHz

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