BMRB Entry 51228

Name: Sidechain chemical shift assignments of fully protonated SH3 of chicken alpha-spectrin through 5D and 4D experiments
Published: 2022-02-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51228

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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:

Sidechain chemical shift assignments of fully protonated SH3 of chicken alpha-spectrin through 5D and 4D experiments

Deposition date:

2021-12-13

Original release date:

2022-02-22

Authors:

Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus

Citation:

Citation: Klein, Alexander; Vasa, Suresh; Soldner, Benedikt; Grohe, Kristof; Linser, Rasmus. "Unambiguous Side-Chain Assignments for Solid-State NMR Structure Elucidation of Nondeuterated Proteins via a Combined 5D/4D Side-Chain-to-Backbone Experiment" J. Phys. Chem. Lett. 13, 1644-1651 (2022).
PubMed: 35147439

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7200 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 Vector: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	209
15N chemical shifts	51
1H chemical shifts	303

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3	1

Entities:

Entity 1, SH3 62 residues - 7200 Da.

1

MET

ASP

GLU

THR

GLY

LYS

GLU

LEU

VAL

LEU

2

ALA

LEU

TYR

ASP

TYR

GLN

GLU

LYS

SER

PRO

3

ARG

GLU

VAL

THR

MET

LYS

GLY

ASP

ILE

4

LEU

THR

LEU

ASN

SER

THR

ASN

LYS

ASP

5

TRP

LYS

VAL

GLU

VAL

ASN

ASP

ARG

GLN

6

GLY

PHE

VAL

PRO

ALA

TYR

VAL

LYS

7

LEU

ASP

Samples:

sample_1: SH3 of chicken alpha-spectrin, [U-100% 13C; U-100% 15N], 1 mg

sample_conditions_1: pH: 8; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
5D HCCNH	sample_1	isotropic	sample_conditions_1
4D HCCH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1.1 - collection

CcpNMR v3 - chemical shift assignment

SSA - processing

CYANA v3.98.13 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 700 MHz