BMRB Entry 30291

Name: Structure of a Turripeptide from Unedogemmula bisaya venom
Published: 2017-11-08

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PDB ID: 5vr1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30291
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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:

Structure of a Turripeptide from Unedogemmula bisaya venom

Deposition date:

2017-05-09

Original release date:

2017-11-08

Authors:

Daly, N.; Imperial, J.

Citation:

Citation: Omaga, Carla; Carpio, Louie; Imperial, Julita; Daly, Norelle; Gajewiak, Joanna; Flores, Malem; Espino, Samuel; Christensen, Sean; Filchakova, Olena; Lopez-Vera, Estuardo; Raghuraman, Shrinivasan; Olivera, Baldomero; Concepcion, Gisela. "Structure and Biological Activity of a Turripeptide from Unedogemmula bisaya Venom." Biochemistry 56, 6051-6060 (2017).
PubMed: 29090914

Assembly members:

Assembly members:
entity_1, polymer, 18 residues, 1807.174 Da.

Natural source:

Natural source: Common Name: Unedogemmula bisaya Taxonomy ID: 746885 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Unedogemmula bisaya

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DCCXCXAGAVRCRFACCX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	25
15N chemical shifts	16
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 18 residues - 1807.174 Da.

1

ASP

CYS

HYP

CYS

HYP

ALA

GLY

ALA

VAL

2

ARG

CYS

ARG

PHE

ALA

CYS

NH2

Samples:

sample_1: ubi3a, [U-13C; U-15N], 1.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 5; pressure: 1 atm; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNMR, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz

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