BMRB Entry 15267

Name: NMR structure of the anticoccidial peptide PW2 in DPC micelles
Published: 2007-10-29

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PDB ID: 2jq2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15267
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of the anticoccidial peptide PW2 in DPC micelles PubMed: 17927950

Deposition date: 2007-05-28 Original release date: 2007-10-29

Authors: Almeida, Fabio; Tinoco, Luzineide; Gomes-Neto, Francisco; Valente, Ana Paula

Citation: Cruzeiro-Silva, C.; Gomes-Neto, Francisco; Tinoco, Luzineide; Cilli, E.; Barros, P.; Lapido-Loureiro, P.; Bisch, P.; Almeida, Fabio; Valente, Ana Paula. "Structural biology of membrane-acting peptides: Conformational plasticity of anticoccidial peptide PW2 probed by solution NMR" Biochim. Biophys. Acta. 1768, 3182-3192 (2007).

Assembly members:
pw2, polymer, 12 residues, 1601 Da.

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
pw2: HPLKQYWWRPSI

Data sets:

assigned_chemical_shifts
- assignments_pw2

Data type	Count
1H chemical shifts	82

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PW2	1

Entities:

Entity 1, PW2 12 residues - 1601 Da.

1

HIS

PRO

LEU

LYS

GLN

TYR

TRP

ARG

PRO

2

SER

ILE

Samples:

sample_1: pw2 2 mM; phosphate buffer 20 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 5.0; 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:

CNSSOLVE v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 400 MHz

Biological Magnetic Resonance Data Bank