BMRB Entry 34641

Name: Solution structure of bee apamin
Published: 2022-07-04

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PDB ID: 7oxf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34641
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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 bee apamin

Deposition date:

2021-06-22

Original release date:

2022-07-04

Authors:

Mineev, K.; Kuzmenkov, A.; Vassilevski, A.

Citation:

Citation: Kuzmenkov, Alexey; Peigneur, Steve; Nasburg, Joshua; Mineev, Konstantin; Nikolaev, Maxim; Pinheiro-Junior, Ernesto Lopes; Arseniev, Alexander; Wulff, Heike; Tytgat, Jan; Vassilevski, Alexander. "Solution structure of bee apamin" Front. Pharmacol. 13, 977440-977440 (2022).
PubMed: 36188602

Assembly members:

Assembly members:
entity_1, polymer, 19 residues, 2034.392 Da.

Natural source:

Natural source: Common Name: Honeybee Taxonomy ID: 7460 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Apis mellifera

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CNCKAPETALCARRCQQHX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	44
15N chemical shifts	21
1H chemical shifts	119

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 19 residues - 2034.392 Da.

1

CYS

ASN

CYS

LYS

ALA

PRO

GLU

THR

ALA

LEU

2

CYS

ALA

ARG

CYS

GLN

HIS

NH2

Samples:

sample_1: apamin 1 mM; sodium azide 0.01 % v/v

sample_conditions_1: ionic strength: 10 mM; pH: 2.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	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 - structure calculation

CARA v1.9, Keller and Wuthrich - chemical shift assignment

TopSpin v3.2, Bruker Biospin - processing

NMR spectrometers:

Bruker AVANCE III 800 MHz

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