BMRB Entry 50814

Name: 1H, 13C and 15N Backbone Chemical Shift Assignments of the SH3 domain of the JNK-interacting protein 1
Published: 2021-12-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50814

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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:

1H, 13C and 15N Backbone Chemical Shift Assignments of the SH3 domain of the JNK-interacting protein 1

Deposition date:

2021-03-10

Original release date:

2021-12-13

Authors:

Marino Perez, Laura; Ringkjobing Jensen, Malene

Citation:

Citation: Marino Perez, Laura; Ielasi, Francesco; Mamigonian Bessa, Luiza; Maurin, Damien; Kragelj, Jaka; Blackledge, Martin; Salvi, Nicola; Bouvignies, Guillaume; Palencia, Andres; Jensen, Malene. "Visualizing protein breathing motions associated with aromatic ring flipping" Nature 602, 695-700 (2022).
PubMed: 35173330

Assembly members:

Assembly members:
entity_1, polymer, 63 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: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GHMEQTHRAIFRFVPRHEDE LELEVDDPLLVELQAEDYWY EAYNMRTGARGVFPAYYAIE VTK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	181
15N chemical shifts	58
1H chemical shifts	58

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WT JIP1-SH3	1

Entities:

Entity 1, WT JIP1-SH3 63 residues - Formula weight is not available

1

GLY

HIS

MET

GLU

GLN

THR

HIS

ARG

ALA

ILE

2

PHE

ARG

PHE

VAL

PRO

ARG

HIS

GLU

ASP

GLU

3

LEU

GLU

LEU

GLU

VAL

ASP

PRO

LEU

4

VAL

GLU

LEU

GLN

ALA

GLU

ASP

TYR

TRP

TYR

5

GLU

ALA

TYR

ASN

MET

ARG

THR

GLY

ALA

ARG

6

GLY

VAL

PHE

PRO

ALA

TYR

ALA

ILE

GLU

7

VAL

THR

LYS

Samples:

sample_1: JIP1-SH3 WT, [U-95% 13C; U-95% 15N], 940 uM; NaCl 150 mM; HEPES 50 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

MARS - chemical shift assignment

NMRFAM-SPARKY - chemical shift assignment, data analysis, peak picking

TOPSPIN - collection

NMR spectrometers:

Bruker AVANCE III 600 MHz

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