BMRB Entry 17500

Name: Papiliocin
Published: 2011-11-03

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PDB ID: 2la2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17500
MolProbity Validation Chart

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

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Title:

Papiliocin

Deposition date:

2011-03-01

Original release date:

2011-11-03

Authors:

Kim, Yangmee; Kim, Jin-Kyoung

Citation:

Citation: Kim, Jin-Kyoung; Lee, Eunjung; Shin, Soyoung; Jeong, Ki-woong; Lee, Jee-Young; Bae, Su-Young; Kim, Soo-Hyun; Lee, Juneyoung; Kim, Seong Ryul; Lee, Dong Gun; Hwang, Jae-Sam; Kim, Yangmee. "Structure and function of papiliocin with antimicrobial and anti-inflammatory activities isolated from the swallowtail butterfly, Papilio xuthus." J. Biol. Chem. 286, 41296-41311 (2011).
PubMed: 21965682

Assembly members:

Assembly members:
papiliocin, polymer, 38 residues, 4010.906 Da.

Natural source:

Natural source: Common Name: butterfly Taxonomy ID: 66420 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Papilio xuthus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
papiliocin: RWKIFKKIEKVGRNVRDGII KAGPAVAVVGQAATVVKX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	278

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	papiliocin	1

Entities:

Entity 1, papiliocin 38 residues - 4010.906 Da.

1

ARG

TRP

LYS

ILE

PHE

LYS

ILE

GLU

LYS

2

VAL

GLY

ARG

ASN

VAL

ARG

ASP

GLY

ILE

3

LYS

ALA

GLY

PRO

ALA

VAL

ALA

VAL

GLY

4

GLN

ALA

THR

VAL

LYS

NH2

Samples:

sample_1: papiliocin 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 500 MHz

PDB	2LA2
DBJ	BAM18456
GB	ACR82292