BMRB Entry 15318

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PDB ID: 2jr3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15318
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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:

Antibacterial Peptide from Eggshell Matrix: Structure and Self-assembly of a - defensin Like Peptide from the Chinese Soft-shelled Turtle Eggshell

Deposition date:

2007-06-20

Original release date:

2008-06-12

Authors:

Vivekanandan, Subramanian; Lakshminarayanan, Rajamani; Jois, Seetharama; Perumalsamy, Ramar; Banerjee, Yajnavalka; Ooi Chi-Jin, Emma; Wah Teo, Kay; Kini, Manjunatha; Valiyaveettil, Suresh

Citation:

Citation: Lakshminarayanan, Rajamani; Vivekanandan, Subramanian; Samy, Ramar; Banerjee, Yajnavalka; Ooi Chi-Jin, Emma; Wah Teo, Kay; Jois, Seetharama; Kini, R.; Valiyaveettil, Suresh. "Structure, self-assembly, and dual role of a beta-defensin-like peptide from the Chinese soft-shelled turtle eggshell matrix" J. Am. Chem. Soc. 130, 4660-4668 (2008).
PubMed: 18341335

Assembly members:

Assembly members:
Pelovaterin, polymer, 42 residues, 4201.883 Da.

Natural source:

Natural source: Common Name: Pelodiscus sinensis Taxonomy ID: 13735 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pelodiscus sinensis

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Pelodiscus sinensis Vector: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pelovaterin: DDTPSSRCGSGGWGPCLPIV DLLCIVHVTVGCSGGFGCCR IG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	250

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pelovaterin	1

Entities:

Entity 1, Pelovaterin 42 residues - 4201.883 Da.

1

ASP

THR

PRO

SER

ARG

CYS

GLY

SER

2

GLY

TRP

GLY

PRO

CYS

LEU

PRO

ILE

VAL

3

ASP

LEU

CYS

ILE

VAL

HIS

VAL

THR

VAL

4

GLY

CYS

SER

GLY

PHE

GLY

CYS

ARG

5

ILE

GLY

Samples:

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

sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
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 v2.1, P.GUNTERT ET AL. - refinement, structure solution

SPARKY v3.110, Goddard - data analysis, peak picking

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 500 MHz

PDB	2JR3
SP	P84818
AlphaFold	P84818