BMRB Entry 34420

Name: SH3-subunit of chicken alpha spectrin solved by NMR
Published: 2020-08-06

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PDB ID: 6scw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34420
MolProbity Validation Chart

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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:

SH3-subunit of chicken alpha spectrin solved by NMR

Deposition date:

2019-07-25

Original release date:

2020-08-06

Authors:

Grohe, K.; Hebrank, C.; Linser, R.

Citation:

Citation: Grohe, K.; Patel, S.; Hebrank, C.; Medina, S.; Klein, A.; Rovo, P.; Vasa, S.; Singh, H.; Voegeli, B.; Shaefer, L.; Linser, R.. "Protein Motional Details Revealed by Complementary Structural Biology Techniques" Structure 28, 1024-1034 (2020).
PubMed: 32579946

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7229.244 Da.

Natural source:

Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21

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	191
15N chemical shifts	66
1H chemical shifts	368

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 62 residues - 7229.244 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-domain of chicken alpha spectrin, [U-15N; U-13C], 12 mg/L

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

TopSpin v3.7, Bruker Biospin - processing

CYANA v3.98.5, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis v2.4.1, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 3 800 MHz

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