BMRB Entry 26040

Name: Solution structure of pseudin-2 analog (Ps-P)
Published: 2017-04-24

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PDB ID: 2ncy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26040
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of pseudin-2 analog (Ps-P) PubMed: 28469145

Deposition date: 2016-04-18 Original release date: 2017-04-24

Authors: Jeon, Dasom; Kim, Jin-Kyoung; Shin, Areum; Kim, Yangmee

Citation: Jeon, Dasom; Jeong, Min-Cheol; Jacob, Binu; Bang, Jeong Kyu; Kim, Eun-Hee; Cheong, Chaejoon; Jung, In Duk; Park, Yoonkyung; Kim, Yangmee. "Investigation of cationicity and structure of pseudin-2 analogues for enhanced bacterial selectivity and anti-inflammatory activity" Sci. Rep. 7, 1455-1455 (2017).

Assembly members:
Ps-P, polymer, 24 residues, 2730.264 Da.

Natural source: Common Name: paradox frog Taxonomy ID: 43558 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pseudis paradoxa

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Ps-P: GLNALKKVFQPIHEAIKLIN NHVQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	164

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 24 residues - 2730.264 Da.

1

GLY

LEU

ASN

ALA

LEU

LYS

VAL

PHE

GLN

2

PRO

ILE

HIS

GLU

ALA

ILE

LYS

LEU

ILE

ASN

3

ASN

HIS

VAL

GLN

Samples:

1mM_Ps-P: DPC 200 mM; H2O 90%; D2O 10%

200mM_DPC: pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	1mM_Ps-P	isotropic	200mM_DPC
2D 1H-1H TOCSY	1mM_Ps-P	isotropic	200mM_DPC
2D DQF-COSY	1mM_Ps-P	isotropic	200mM_DPC

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift calculation

NMR spectrometers:

Bruker Avance 700 MHz