BMRB Entry 18350

Name: cathelicidin-PY
Published: 2013-03-25

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PDB ID: 2lr7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18350
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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:

cathelicidin-PY

Deposition date:

2012-03-27

Original release date:

2013-03-25

Authors:

Yang, Juanjuan

Citation:

Citation: Wei, Lin; Yang, Juanjuan; He, Xiaoqin; Mo, Guoxiang; Hong, Jing; Yan, Xiuwen; Lin, Donghai; Lai, Ren. "Structure and function of a potent lipopolysaccharide-binding antimicrobial and anti-inflammatory peptide" J. Med. Chem. 56, 3546-3556 (2013).
PubMed: 23594231

Assembly members:

Assembly members:
entity, polymer, 29 residues, 3434.221 Da.

Natural source:

Natural source: Common Name: bullfrog Taxonomy ID: 8400 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rana catesbeiana

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-28(a)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: RKCNFLCKLKEKLRTVITSH IDKVLRPQG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	184

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cathelicidin-PY	1

Entities:

Entity 1, cathelicidin-PY 29 residues - 3434.221 Da.

1

ARG

LYS

CYS

ASN

PHE

LEU

CYS

LYS

LEU

LYS

2

GLU

LYS

LEU

ARG

THR

VAL

ILE

THR

SER

HIS

3

ILE

ASP

LYS

VAL

LEU

ARG

PRO

GLN

GLY

Samples:

sample_1: cathelicidin-PY mM; D2O, [U-2H], 10%; H2O 90%

sample_conditions_1: ionic strength: 0.0001 M; pH: 6.2; 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

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz