BMRB Entry 15305

Name: 1H Chemical Shift Assignments for Cardiotoxin A3 from Naja Atra at Neutral pH and temperature of 318K
Published: 2008-02-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15305

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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:

1H Chemical Shift Assignments for Cardiotoxin A3 from Naja Atra at Neutral pH and temperature of 318K

Deposition date:

2007-06-15

Original release date:

2008-02-28

Authors:

Tjong, Siu-Cin; Wu, Po-Long; Wang, Chang-Mao; Huang, Wei-Ning; Ho, Nan-Lu; Wu, Wen-Guey

Citation:

Citation: Tjong, Siu-Cin; Wu, Po-Long; Wang, Chang-Mao; Huang, Wei-Ning; Ho, Nan-Lu; Wu, Wen-Guey. "Role of glycosphingolipid conformational change in membrane pore forming activity of cobra cardiotoxin" Biochemistry 46, 12111-12123 (2007).
PubMed: 17918958

Assembly members:

Assembly members:
cardiotoxin_A3, polymer, 60 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chinese cobra Taxonomy ID: 8656 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Naja atra

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Naja atra

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cardiotoxin_A3: LKCNKLVPLFYKTCPAGKNL CYKMFMVATPKVPVKRGCID VCPKSSLLVKYVCCNTDRCN

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	1102

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cardiotoxin A3	1

Entities:

Entity 1, cardiotoxin A3 60 residues - Formula weight is not available

1	LEU	LYS	CYS	ASN	LYS	LEU	VAL	PRO	LEU	PHE
2	TYR	LYS	THR	CYS	PRO	ALA	GLY	LYS	ASN	LEU
3	CYS	TYR	LYS	MET	PHE	MET	VAL	ALA	THR	PRO
4	LYS	VAL	PRO	VAL	LYS	ARG	GLY	CYS	ILE	ASP
5	VAL	CYS	PRO	LYS	SER	SER	LEU	LEU	VAL	LYS
6	TYR	VAL	CYS	CYS	ASN	THR	ASP	ARG	CYS	ASN

Samples:

CTX_A3: cardiotoxin A3 1 mM; phosphate buffer 10 mM

CTX_A3_in_SGC_DPC_micelle: cardiotoxin A3 1 mM; DPC, [U-2H], 45 mM; sulfatide (SGC) 5 mM; phosphate buffer 10 mM

CTX_A3__in_DPC_micelle: cardiotoxin A3 1 mM; DPC, [U-2H], 50 mM; phosphate buffer 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 318 K

sample_conditions_2: ionic strength: 19 mM; pH: 6.0; pressure: 1 atm; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	CTX_A3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	CTX_A3	isotropic	sample_conditions_1
2D 1H-1H NOESY	CTX_A3_in_SGC_DPC_micelle	isotropic	sample_conditions_1
2D 1H-1H NOESY	CTX_A3__in_DPC_micelle	isotropic	sample_conditions_2

Software:

xwinnmr, Bruker Biospin - chemical shift assignment

NMR spectrometers:

Bruker DMX 500 MHz

PDB	1H0J 1I02 1XT3 2BHI 2CRS 2CRT
EMBL	CAA07686 CAA90963 CAB42053 CAB42055
GB	AAA49386 AAB01541 AAB18382 AAB18383 AAB25733
PIR	JK0222
PRF	0406231A 2207174B
SP	O93471 O93473 P60301 P60302 P60303
AlphaFold	O93471 O93473 P60301 P60302 P60303

1	LEU	LYS	CYS	ASN	LYS	LEU	VAL	PRO	LEU	PHE
2	TYR	LYS	THR	CYS	PRO	ALA	GLY	LYS	ASN	LEU
3	CYS	TYR	LYS	MET	PHE	MET	VAL	ALA	THR	PRO
4	LYS	VAL	PRO	VAL	LYS	ARG	GLY	CYS	ILE	ASP
5	VAL	CYS	PRO	LYS	SER	SER	LEU	LEU	VAL	LYS
6	TYR	VAL	CYS	CYS	ASN	THR	ASP	ARG	CYS	ASN

1	LEU	LYS	CYS	ASN	LYS	LEU	VAL	PRO	LEU	PHE
2	TYR	LYS	THR	CYS	PRO	ALA	GLY	LYS	ASN	LEU
3	CYS	TYR	LYS	MET	PHE	MET	VAL	ALA	THR	PRO
4	LYS	VAL	PRO	VAL	LYS	ARG	GLY	CYS	ILE	ASP
5	VAL	CYS	PRO	LYS	SER	SER	LEU	LEU	VAL	LYS
6	TYR	VAL	CYS	CYS	ASN	THR	ASP	ARG	CYS	ASN