BMRB Entry 30588

Name: Syn-safencin 56
Published: 2020-05-11

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PDB ID: 6o8s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30588
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:

Syn-safencin 56

Deposition date:

2019-03-11

Original release date:

2020-05-11

Authors:

Fields, F.; Lee, S.

Citation:

Citation: Fields, Francisco; Manzo, Giorgia; Hind, Charlotte; Janardhanan, Jeshina; Foik, Ilona; Carmo Silva, Phoebe Do; Balsara, Rashna; Clifford, Melanie; Vu, Henry; Ross, Jessica; Kalwajtys, Veronica; Gonzalez, Alejandro; Bui, Tam; Ploplis, Victoria; Castellino, Francis; Siryaporn, Albert; Chang, Mayland; Sutton, J Mark; Mason, A James; Lee, Shaun. "Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy" ACS Pharmacol. Transl. Sci. 3, 418-424 (2020).
PubMed: 32566907

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 3061.819 Da.

Natural source:

Natural source: Common Name: Bacillus safensis Taxonomy ID: 561879 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus safensis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AGKEKIRKKLKNEIKKKWRK AVIAW

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	70

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 25 residues - 3061.819 Da.

1

ALA

GLY

LYS

GLU

LYS

ILE

ARG

LYS

LEU

2

LYS

ASN

GLU

ILE

LYS

TRP

ARG

LYS

3

ALA

VAL

ILE

ALA

TRP

Samples:

sample_1: Syn-safencin 56 500 uM

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

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, peak picking, refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 500 MHz