BMRB Entry 34785

Name: SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
Published: 2023-03-01

Click here to enlarge.

PDB ID: 8cf4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34785
MolProbity Validation Chart

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:

SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ

Deposition date:

2023-02-02

Original release date:

2023-03-01

Authors:

Soeldner, B.

Citation:

Citation: Soldner, B.; Grohe, K.; Neidig, P.; Auch, J.; Blach, S.; Klein, A.; Vasa, S.; Schafer, L.; Linser, R.. "Integrated Assessment of the Structure and Dynamics of Solid Proteins." J. Phys. Chem. Lett. 14, 1725-1731 (2023).
PubMed: 36757335

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7229.244 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 BL21(DE3)

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	234
15N chemical shifts	57
1H chemical shifts	364

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

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 of chicken alpha-spectrin, [U-100% 13C; U-100% 15N], 1 na

sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D S2B pulse sequence with MOCCA-mixing between carbons	sample_1	isotropic	sample_conditions_1
5D S2B combined with a simultaneous 4D HCCH	sample_1	isotropic	sample_conditions_1
15 time-shared 15N/13C-edited H-RFDR-h(N/C)H RFDR pulse sequence with 1H-1H homonuclear mixing times from 150 us to 1.9 ms	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation

CcpNmr Analysis v2.5.2, Wim F. Vranken, etc. - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE NEO 800 MHz
Bruker AVANCE NEO 700 MHz

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