BMRB Entry 34485

Name: NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)
Published: 2021-02-04

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PDB ID: 6xyh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34485
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:

NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)

Deposition date:

2020-01-30

Original release date:

2021-02-04

Authors:

Mineev, K.; Kornilov, F.; Lushpa, V.; Logashina, Y.; Maleeva, E.; Andreev, Y.

Citation:

Citation: Kornilov, F.. "NMR solution structure of alpha-AnmTX-Ms11a-2 (Ms11a-2)" .

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, 4670.467 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 BL21(DE3) Vector: pET-32b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCKNLNSHCYRQHRECCHGL VCRRPNYGNGRGILWKCVRA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	118
15N chemical shifts	37
1H chemical shifts	267

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 40 residues - 4670.467 Da.

1	GLY	CYS	LYS	ASN	LEU	ASN	SER	HIS	CYS	TYR
2	ARG	GLN	HIS	ARG	GLU	CYS	CYS	HIS	GLY	LEU
3	VAL	CYS	ARG	ARG	PRO	ASN	TYR	GLY	ASN	GLY
4	ARG	GLY	ILE	LEU	TRP	LYS	CYS	VAL	ARG	ALA

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D DQF-COSY	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_2

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

BMRB Entry 34485

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	CYS	LYS	ASN	LEU	ASN	SER	HIS	CYS	TYR
2	ARG	GLN	HIS	ARG	GLU	CYS	CYS	HIS	GLY	LEU
3	VAL	CYS	ARG	ARG	PRO	ASN	TYR	GLY	ASN	GLY
4	ARG	GLY	ILE	LEU	TRP	LYS	CYS	VAL	ARG	ALA

1	GLY	CYS	LYS	ASN	LEU	ASN	SER	HIS	CYS	TYR
2	ARG	GLN	HIS	ARG	GLU	CYS	CYS	HIS	GLY	LEU
3	VAL	CYS	ARG	ARG	PRO	ASN	TYR	GLY	ASN	GLY
4	ARG	GLY	ILE	LEU	TRP	LYS	CYS	VAL	ARG	ALA

1	GLY	CYS	LYS	ASN	LEU	ASN	SER	HIS	CYS	TYR
2	ARG	GLN	HIS	ARG	GLU	CYS	CYS	HIS	GLY	LEU
3	VAL	CYS	ARG	ARG	PRO	ASN	TYR	GLY	ASN	GLY
4	ARG	GLY	ILE	LEU	TRP	LYS	CYS	VAL	ARG	ALA