BMRB Entry 34558

Name: Capra hircus Cathelicidin-1 (dodecylphosphocholine)
Published: 2021-09-07

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PDB ID: 7acb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34558
MolProbity Validation Chart

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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:

Capra hircus Cathelicidin-1 (dodecylphosphocholine)

Deposition date:

2020-09-10

Original release date:

2021-09-07

Authors:

Myshkin, M.; Mironov, P.; 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, 12 residues, 1508.920 Da.

Natural source:

Natural source: Common Name: goat Taxonomy ID: 9925 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Capra hircus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: RICQFVLIRVCR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	29
1H chemical shifts	178

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1
3	unit_3	1
4	unit_4	1

Entities:

Entity 1, unit_1 12 residues - 1508.920 Da.

1

ARG

ILE

CYS

GLN

PHE

VAL

LEU

ILE

ARG

VAL

2

CYS

ARG

Samples:

sample_1: Capra hircus Cathelicidin-1, [U-15N], 0.96 mM; DPC, [U-99% 2H], 1.6%

sample_2: DPC, [U-99% 2H], 1.6%; Capra hircus Cathelicidin-1 (dodecylphosphocholine) 0.336 mM

sample_conditions_1: ionic strength: 0.01 mM; pH: 4.0; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

TopSpin, Bruker Biospin - collection

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

NMR spectrometers:

Bruker AVANCE III 800 MHz
Bruker AVANCE III 600 MHz

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