BMRB Entry 34894

Name: Solution NMR structure of Pacsin 2 SH3 domain
Published: 2025-02-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34894

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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 NMR structure of Pacsin 2 SH3 domain

Deposition date:

2024-01-25

Original release date:

2025-02-04

Authors:

Tossavainen, H.; Permi, P.

Citation:

Citation: Tossavainen, H.; Permi, P.. "Solution NMR structure of Pacsin 2 SH3 domain" .

Assembly members:

Assembly members:
entity_1, polymer, 67 residues, 7562.211 Da.

Natural source:

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSRRASVGSVRVRALYDYEG QEQDELSFKAGDELTKMENE DEQGWCKGRLDNGQVGLYPA NYVEPIQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	283
15N chemical shifts	67
1H chemical shifts	431

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 67 residues - 7562.211 Da.

1

GLY

SER

ARG

ALA

SER

VAL

GLY

SER

VAL

2

ARG

VAL

ARG

ALA

LEU

TYR

ASP

TYR

GLU

GLY

3

GLN

GLU

GLN

ASP

GLU

LEU

SER

PHE

LYS

ALA

4

GLY

ASP

GLU

LEU

THR

LYS

MET

GLU

ASN

GLU

5

ASP

GLU

GLN

GLY

TRP

CYS

LYS

GLY

ARG

LEU

6

ASP

ASN

GLY

GLN

VAL

GLY

LEU

TYR

PRO

ALA

7

ASN

TYR

VAL

GLU

PRO

ILE

GLN

Samples:

sample_1: Pacsin 2 SH3 domain, [U-13C; U-15N], 1.2 mM; bis-TRIS 20 mM

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 293 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 HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D iHNCA	sample_1	isotropic	sample_conditions_1
3D iHNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	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
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

VNMR, Varian - collection, processing

Sparky, Goddard - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

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