BMRB Entry 5890

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5890

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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:

The NMR-derived Solution Structure of a New Cationic Antimicrobial Peptide from the Skin Secretion of the Anuran Hyla punctata

Deposition date:

2003-08-04

Original release date:

2004-02-12

Authors:

Prates, Maura; Regis, Wiliam; Sforca, Mauricio; Leite, Jose; Pertinhez, Thelma; Araujo, Antonio; Spisni, Alberto; Bloch, Carlos

Citation:

Citation: Prates, Maura; Regis, Wiliam; Sforca, Mauricio; Leite, Jose; Pertinhez, Thelma; Araujo, Antonio; Spisni, Alberto; Bloch, Carlos. "The NMR-derived Solution Structure of a New Cationic Antimicrobial Peptide from the Skin Secretion of the Anuran Hyla punctata" J. Biol. Chem. 279, 13018-13026 (2004).
PubMed: 14715660

Assembly members:

Assembly members:
Hylaseptin P1, polymer, 14 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Polka-dot treefrog Taxonomy ID: 280006 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hypsiboas punctatus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Hylaseptin P1: GILDAIKAIAKAAG

Data sets:

assigned_chemical_shifts
- HSP1_CS
coupling_constants
- empaf_Jcoupling

Data type	Count
1H chemical shifts	95
coupling constants	12

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HSP1, Hylaseptin	1

Entities:

Entity 1, HSP1, Hylaseptin 14 residues - Formula weight is not available

1

GLY

ILE

LEU

ASP

ALA

ILE

LYS

ALA

ILE

ALA

2

LYS

ALA

GLY

Samples:

HSP1_sample: Hylaseptin P1 mM; 2,2,2-Trifluorethanol 30%; D2O 5%; H2O 95%

HSP1_cond: pH: 4; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H NOESY	HSP1_sample	not available	HSP1_cond
2D 1H TOCSY	HSP1_sample	not available	HSP1_cond
2D 1H COSY	HSP1_sample	not available	HSP1_cond
2D 1H DQF-COSY	HSP1_sample	not available	HSP1_cond

Software:

NMRpipe v5.0 - semi automated assignments

DYANA v1.5 - annealing

DISCOVER v2000 - energy minimization

ProcheckNMR v3.5.4 - analysis of the NMR restraints violations

CNSSOLVE v1.1 - analysis of the NMR restraints violations

NMRview v5.0 - semi automated assignments

NMR spectrometers:

Varian INOVA 500 MHz