BMRB Entry 30408

Name: peptide PaAMP1R3
Published: 2019-03-01

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PDB ID: 6cfa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30408
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: peptide PaAMP1R3

Deposition date: 2018-02-14 Original release date: 2019-03-01

Authors: Alves, E.; Liao, L.

Citation: Alves, E.; Liao, L.. "Synthetic peptide PaAMP1R3" To be Published ., .-..

Assembly members:
peptide PaAMP1R3, polymer, 19 residues, 2305.013 Da.

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
peptide PaAMP1R3: PMARNKKLLKKLRLKIAFK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	76
15N chemical shifts	19
1H chemical shifts	150

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 19 residues - 2305.013 Da.

1

PRO

MET

ALA

ARG

ASN

LYS

LEU

LYS

2

LYS

LEU

ARG

LEU

LYS

ILE

ALA

PHE

LYS

Samples:

sample_1: PaAMP1R3 2 mM; DPC-d38, [U-98% 13C], 200 mM; D2O, [U-99% 2H], 10%; H2O 90%; DSS 5%; sodium phosphate buffer 1 mM

sample_conditions_1: ionic strength: 1 mM; 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
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HMQC	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

Bruker Avance 500 MHz

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