BMRB Entry 50767

Name: S. aureus pepG1 NMR solution structure
Published: 2021-07-12

Click here to enlarge.

PDB ID: 7ns1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50767
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:

S. aureus pepG1 NMR solution structure

Deposition date:

2021-02-16

Original release date:

2021-07-12

Authors:

Fermon, Laurence

Citation:

Citation: Nonin-Lecomte, Sylvie; Fermon, Laurence; Felden, Brice; Pinel-Marie, Marie-Laure. "Bacterial Type I Toxins: Folding and Membrane Interactions" Toxins 13, 490-490 (2021).
PubMed: 34357962

Assembly members:

Assembly members:
entity_1, polymer, 31 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: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MITISTMLQFGLFLIALIGL VIKLIELSNKK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	269

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	pepG1	1

Entities:

Entity 1, pepG1 31 residues - Formula weight is not available

1

MET

ILE

THR

ILE

SER

THR

MET

LEU

GLN

PHE

2

GLY

LEU

PHE

LEU

ILE

ALA

LEU

ILE

GLY

LEU

3

VAL

ILE

LYS

LEU

ILE

GLU

LEU

SER

ASN

LYS

4

LYS

Samples:

sample_1: pepG1 0.3 mM; H2O 50 % v/v; isoPrOH, DIMETHYL-D6, 98%, 50 % v/v; EDTA 0.01 mM

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR v2.4 - chemical shift assignment, chemical shift calculation, data analysis, peak picking

XPLOR-NIH v3.1 - refinement, structure solution

NMR spectrometers:

Bruker AVANCE III 600 MHz