BMRB Entry 52103

Name: Backbone assignment of SPIN-cys-aureus
Published: 2024-05-21

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PDB ID: 9bd0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52103
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:

Backbone assignment of SPIN-cys-aureus

Deposition date:

2023-08-25

Original release date:

2024-05-21

Authors:

Mishra, Nitin; Geisbrecht, Brian; Prakash, Om

Citation:

Citation: Fatehi, Soheila; Mishra, Nitin; Herdendorf, Timothy; Prakash, Om; Geisbrecht, Brian. "Staphylococcal peroxidase inhibitor (SPIN): Investigation of the inhibitory N-terminal domain via a stabilizing disulfide insertion" Arch. Biochem. Biophys. 758, 110060-110060 (2024).
PubMed: 38880318

Assembly members:

Assembly members:
entity_1, polymer, 73 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: pT7HMT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KCYSQNGLVLHCDANFLEHE LSYIDVLLDKNADQATKDNL RSYFADKGLHSIKDIINKAK QDGFDVSKYEHVK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	104
15N chemical shifts	73
1H chemical shifts	148

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SPIN-cys-aureus	1

Entities:

Entity 1, SPIN-cys-aureus 73 residues - Formula weight is not available

1

LYS

CYS

TYR

SER

GLN

ASN

GLY

LEU

VAL

LEU

2

HIS

CYS

ASP

ALA

ASN

PHE

LEU

GLU

HIS

GLU

3

LEU

SER

TYR

ILE

ASP

VAL

LEU

ASP

LYS

4

ASN

ALA

ASP

GLN

ALA

THR

LYS

ASP

ASN

LEU

5

ARG

SER

TYR

PHE

ALA

ASP

LYS

GLY

LEU

HIS

6

SER

ILE

LYS

ASP

ILE

ASN

LYS

ALA

LYS

7

GLN

ASP

GLY

PHE

ASP

VAL

SER

LYS

TYR

GLU

8

HIS

VAL

LYS

Samples:

sample_1: SPIN-cys-aureus, [U-100% 13C; U-100% 15N], 0.8 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1 - collection

NMRPipe - processing

CARA v1.9.1.7 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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