BMRB Entry 34633

Name: Solution structure of antimicrobial peptide cathelicidin-1 PcDode from sperm whale Physeter catodon
Published: 2021-09-07

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PDB ID: 7osc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34633
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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:

Solution structure of antimicrobial peptide cathelicidin-1 PcDode from sperm whale Physeter catodon

Deposition date:

2021-06-08

Original release date:

2021-09-07

Authors:

Mironov, P.; Myshkin, M.; Shenkarev, Z.

Citation:

Citation: Bolosov, Ilia; Panteleev, Pavel; Sychev, Sergei; Sukhanov, Stanislav; Mironov, Pavel; Myshkin, Mikhail Yu; Shenkarev, Zakhar; Ovchinnikova, Tatiana. "Dodecapeptide Cathelicidins of Cetartiodactyla: Structure, Mechanism of Antimicrobial Action, and Synergistic Interaction With Other Cathelicidins" Front. Microbiol. 12, 725526-725526 (2021).
PubMed: 34484167

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2787.551 Da.

Natural source:

Natural source: Common Name: Sperm whale, Physeter catodon Taxonomy ID: 9755 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Physeter macrocephalus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XICRIIVVRVCRPICRITVI RVCS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	81
1H chemical shifts	195

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 24 residues - 2787.551 Da.

1

PCA

ILE

CYS

ARG

ILE

VAL

ARG

VAL

2

CYS

ARG

PRO

ILE

CYS

ARG

ILE

THR

VAL

ILE

3

ARG

VAL

CYS

SER

Samples:

sample_1: PCdode 0.6 mM; D2O, [U-100% 2H], 5%

sample_conditions_1: ionic strength: 0.01 mM; pH: 4.4; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking

TopSpin v4.0.7, Bruker Biospin - collection

NMR spectrometers:

Bruker AVANCE III 600 MHz