BMRB Entry 30690

Name: CSP1-E1A-cyc(Dap6E10)
Published: 2020-01-06

Click here to enlarge.

PDB ID: 6v1n
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30690
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:

CSP1-E1A-cyc(Dap6E10)

Deposition date:

2019-11-20

Original release date:

2020-01-06

Authors:

Yang, Y.

Citation:

Citation: Yang, Y.; Lin, J.; Harrington, A.; Cornilescu, G.; Lau, G.; Tal-Gan, Y.. "Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity in Streptococcus pneumoniae" Proc. Natl. Acad. Sci. USA 117, 1689-1699 (2020).
PubMed: 31915298

Assembly members:

Assembly members:
entity_1, polymer, 17 residues, 2160.653 Da.

Natural source:

Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AMRLSXFFRQFILQRKK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	23
15N chemical shifts	12
1H chemical shifts	98

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 17 residues - 2160.653 Da.

1

ALA

MET

ARG

LEU

SER

DPP

PHE

ARG

GLN

2

PHE

ILE

LEU

GLN

ARG

LYS

Samples:

sample_1: CSP1-E1A-cyc(Dap6E10) 1.9 mM; DPC, deuterium, 250 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, KUSZEWSKI, SCHWIETERS - refinement

Sparky - structure solution

NMR spectrometers:

Bruker AVANCE 900 MHz

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