BMRB Entry 30717

Name: Hs05 - Intragenic antimicrobial peptide
Published: 2020-11-27

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PDB ID: 6vla
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30717
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:

Hs05 - Intragenic antimicrobial peptide

Deposition date:

2020-01-23

Original release date:

2020-11-27

Authors:

Santos, M.; Silva, E.; Brand, G.; Oliveira, A.

Citation:

Citation: Mariano, G.; Gomes de Sa, L.; Carmo da Silva, E.; Santos, M.; Cardozo Fh, J.; Lira, B.; Barbosa, E.; Araujo, A.; Leite, J.; Ramada, M.; Bloch, C.; Oliveira, A.; Chaker, J.; Brand, G.. "Characterization of novel human intragenic antimicrobial peptides, incorporation and release studies from ureasil-polyether hybrid matrix" Mater. Sci. Eng. C Mater. Biol. Appl. 119, 111581-111581 (2021).
PubMed: 33321627

Assembly members:

Assembly members:
entity_1, polymer, 17 residues, 2065.614 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LMGLFNRIIRKVVKLFN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	116

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 17 residues - 2065.614 Da.

1

LEU

MET

GLY

LEU

PHE

ASN

ARG

ILE

ARG

2

LYS

VAL

LYS

LEU

PHE

ASN

Samples:

sample_1: peptide 1.28 ± 0.2 mM; Dodecylphosphorylcholine-d38, D-98%, 32 ± 0.2 mM; PBS 10 ± 0.2 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III HD 600 MHz