BMRB Entry 27863

Name: NMR 1H chemical shifts assignment heptapeptide EVNPPAP
Published: 2019-05-30

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27863

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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 1H chemical shifts assignment heptapeptide EVNPPAP PubMed: 31182482

Deposition date: 2019-04-01 Original release date: 2019-05-30

Authors: Pichlo, Christian; Jutten, Linda; Wojtalla, Fabian; Schacherl, Magdalena; Diaz, Dolores; Baumann, Ulrich

Citation: Pichlo, Christian; Jutten, Linda; Wojtalla, Fabian; Schacherl, Magdalena; Diaz, Dolores; Baumann, Ulrich. "Molecular determinants of the mechanism and substrate specificity of Clostridium difficile proline-proline endopeptidase-1" J. Biol. Chem. 294, 11525-11535 (2019).

Assembly members:
PP_peptide, polymer, 7 residues, Formula weight is not available

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):
PP_peptide: EVNPPVP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	23
1H chemical shifts	51

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	EVNPPVP heptapeptide	1

Entities:

Entity 1, EVNPPVP heptapeptide 7 residues - Formula weight is not available

1

GLU

VAL

ASN

PRO

VAL

PRO

Samples:

sample_1: PP peptide 2 mM; PBS buffer 50 mM

sample_conditions_1: ionic strength: 0.175 M; 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

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 600 MHz