BMRB Entry 34775

Name: Solution structure of Metridium senile toxin Ms13-1 with the unique fold
Published: 2023-12-12

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PDB ID: 8bvc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34775
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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 Metridium senile toxin Ms13-1 with the unique fold

Deposition date:

2022-12-06

Original release date:

2023-12-12

Authors:

Mineev, K.; Arseniev, A.; Andreev, Y.; Osmakov, D.; Khasanov, T.

Citation:

Citation: Mineev, K.. "Solution structure of Metridium senile toxin Ms13-1 with the unique fold" .

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4584.194 Da.

Natural source:

Natural source: Common Name: brown sea anemone Taxonomy ID: 6116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Metridium senile

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CTCECHSPSDGVCECTYDPD GKPPITKTFRLHKDQPCTCT CG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	100
15N chemical shifts	38
1H chemical shifts	254

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 42 residues - 4584.194 Da.

1

CYS

THR

CYS

GLU

CYS

HIS

SER

PRO

SER

ASP

2

GLY

VAL

CYS

GLU

CYS

THR

TYR

ASP

PRO

ASP

3

GLY

LYS

PRO

ILE

THR

LYS

THR

PHE

ARG

4

LEU

HIS

LYS

ASP

GLN

PRO

CYS

THR

CYS

THR

5

CYS

GLY

Samples:

sample_1: Ms13-1, [U-100% 15N], 0.8 mM; sodium chloride 20 mM; sodium azide 0.01 % w/w

sample_conditions_1: ionic strength: 20 mM; pH: 5.4; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HNHB	sample_1	isotropic	sample_conditions_1

Software:

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

CARA v1.9.3, Keller and Wuthrich - chemical shift assignment

TopSpin v3.5, Bruker Biospin - processing

qMDD v2.5, Orekhov, Mayzel - processing

NMR spectrometers:

Bruker AVANCE 700 MHz

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