BMRB Entry 30626

Name: Solution structure of conotoxin MiXXVIIA
Published: 2019-08-09

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PDB ID: 6ppc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30626
MolProbity Validation Chart

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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:

Solution structure of conotoxin MiXXVIIA

Deposition date:

2019-07-06

Original release date:

2019-08-09

Authors:

Daly, N.; Dekan, Z.; Jin, A.; Alewood, P.

Citation:

Citation: Jin, A.; Dekan, Z.; Smout, M.; Wilson, D.; Dutertre, S.; Vetter, I.; Lewis, R.; Loukas, A.; Daly, N.; Alewood, P.. "Conotoxin phi-MiXXVIIA from the Superfamily G2 Employs a Novel Cysteine Framework that Mimics Granulin and Displays Anti-Apoptotic Activity." Angew. Chem. Int. Ed. Engl. 56, 14973-14976 (2017).
PubMed: 28984021

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3422.695 Da.

Natural source:

Natural source: Common Name: Soldier cone Taxonomy ID: 69564 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus miles

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EDCGSDCMPCGGECCCEPNS CIDGTCHHESSPN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	2
15N chemical shifts	15
1H chemical shifts	159

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 33 residues - 3422.695 Da.

1

GLU

ASP

CYS

GLY

SER

ASP

CYS

MET

PRO

CYS

2

GLY

GLU

CYS

GLU

PRO

ASN

SER

3

CYS

ILE

ASP

GLY

THR

CYS

HIS

GLU

SER

4

SER

PRO

ASN

Samples:

sample_1: phi-MiXXVIIA 1 mM

sample_2: phi-MiXXVIIA 1 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-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - data analysis

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

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