BMRB Entry 34797

Name: Solution structure of Mu3.1 from Conus mucronatus
Published: 2024-02-20

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PDB ID: 8cm3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34797
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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 Mu3.1 from Conus mucronatus

Deposition date:

2023-02-17

Original release date:

2024-02-20

Authors:

Lushpa, V.; Mineev, K.; Vassilevski, A.; Koroev, D.

Citation:

Citation: Lushpa, V.; Mineev, K.; Vassilevski, A.; Koroev, D.. "Spatial structure of Mu 3.1 from Conus mucronatus" .

Assembly members:

Assembly members:
entity_1, polymer, 23 residues, 2612.042 Da.

Natural source:

Natural source: Common Name: Conus mucronatus Taxonomy ID: 1127826 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus mucronatus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AXQCCRSAKYCQVXSCKRNX CCN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	55
1H chemical shifts	138

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 23 residues - 2612.042 Da.

1

ALA

HYP

GLN

CYS

ARG

SER

ALA

LYS

TYR

2

CYS

GLN

VAL

HYP

SER

CYS

LYS

ARG

ASN

HYP

3

CYS

ASN

Samples:

sample_1: water 95%; D2O, 99.8% - deuterated, 5%; sodium azide 0.001%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - collection

NMR spectrometers:

Bruker AVANCE III 800 MHz