BMRB Entry 52893

Name: 1H, 13C, and 15N Chemical Shift Assignments for ScdA-N Terminal Domain (1-64) from Staphylococcus aureus
Published: 2025-02-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52893

NMR-STAR file interactive viewer.
NMR-STAR v3 text 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:

1H, 13C, and 15N Chemical Shift Assignments for ScdA-N Terminal Domain (1-64) from Staphylococcus aureus

Deposition date:

2025-02-06

Original release date:

2025-02-24

Authors:

Kuo, Hsuan-Wei; Wu, Chu-Ya; Su, Shih-Che

Citation:

Citation: Kuo, Hsuan-Wei; Wu, Chu-Ya; Su, Shih-Che. "1H,15N.13C NMR Assignment of Staphylococcus aureus ScdA-N terminal Domain(1-64)" The BMRB entry is the only known published source for the data..

Assembly members:

Assembly members:
entity_1, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MINKNDIVADVVTDYPKAAD IFRSVGIDFAAGGQVSIEAA ALEKKNVDLNELLQRLNDVE QTNT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	258
15N chemical shifts	70
1H chemical shifts	422

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ScdA-N terminal	1

Entities:

Entity 1, ScdA-N terminal 64 residues - Formula weight is not available

1

MET

ILE

ASN

LYS

ASN

ASP

ILE

VAL

ALA

ASP

2

VAL

THR

ASP

TYR

PRO

LYS

ALA

ASP

3

ILE

PHE

ARG

SER

VAL

GLY

ILE

ASP

PHE

ALA

4

ALA

GLY

GLN

VAL

SER

ILE

GLU

ALA

5

ALA

LEU

GLU

LYS

ASN

VAL

ASP

LEU

ASN

6

GLU

LEU

GLN

ARG

LEU

ASN

ASP

VAL

GLU

7

GLN

THR

ASN

THR

Samples:

sample_1: ScdA-N, [U-13C; U-15N; U-2H], 0.16 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

TOPSPIN - processing

NMR spectrometers:

Bruker Avance 850 MHz
Bruker Avance 600 MHz

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