BMRB Entry 51541

Name: Staphylococcus Aureus Protein A, Immunoglobulin-binidng B domain
Published: 2023-06-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51541

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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:

Staphylococcus Aureus Protein A, Immunoglobulin-binidng B domain

Deposition date:

2022-08-01

Original release date:

2023-06-30

Authors:

Yanaka, Saeko; Yagi-Utsumi, Maho; Kato, Koichi; Kuwajima, Kunihiro

Citation:

Citation: Yanaka, Saeko; Yagi-Utsumi, Maho; Kato, Koichi; Kuwajima, Kunihiro. "The B domain of protein A retains residual structures in 6 M guanidinium chloride as revealed by hydrogen/deuterium-exchange NMR spectroscopy" Protein Sci. 32, e4569-e4569 (2023).
PubMed: 36659853

Assembly members:

Assembly members:
entity_1, polymer, 62 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: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMADNKFNKEQQNAFYEI LHLPNLNEEQRNGFIQSLKD DPSQSANLLAEAKKLNDAQA PK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	103
15N chemical shifts	58
1H chemical shifts	58

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	B domain of Protein A	1

Entities:

Entity 1, B domain of Protein A 62 residues - Formula weight is not available

1

GLY

SER

HIS

MET

ALA

ASP

ASN

LYS

PHE

ASN

2

LYS

GLU

GLN

ASN

ALA

PHE

TYR

GLU

ILE

3

LEU

HIS

LEU

PRO

ASN

LEU

ASN

GLU

GLN

4

ARG

ASN

GLY

PHE

ILE

GLN

SER

LEU

LYS

ASP

5

ASP

PRO

SER

GLN

SER

ALA

ASN

LEU

ALA

6

GLU

ALA

LYS

LEU

ASN

ASP

ALA

GLN

ALA

7

PRO

LYS

Samples:

sample_1: B domain of Protein A, [U-13C; U-15N], 1 mM; DMSO, [U-2H], 94.5%; H2O 5%; dichloroacetic acid, [U-2H], 0.5%

sample_conditions_1: ionic strength: 0 M; pH: 5.4 pH*; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	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 (H)N(CA)NNH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - processing

SPARKY - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz