BMRB: 4966

1H and 13C Chemical Shift Assignments for Cardiotoxin A3 from Naja Atra at Neutral pH

Authors

Sue, S., Jarrell, H.C., Brisson, J., Wu, W.

Assembly

Cardiotoxin A3

Entity

1. Cardiotoxin A3 (polymer, Thiol state: all disulfide bound), 60 monomers, 6747.239 Da Detail

LKCNKLVPLF YKTCPAGKNL CYKMFMVATP KVPVKRGCID VCPKSSLLVK YVCCNTDRCN

Formula weight

6747.239 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS21:SG
2	disulfide	sing	1:CYS14:SG	1:CYS38:SG
3	disulfide	sing	1:CYS42:SG	1:CYS53:SG
4	disulfide	sing	1:CYS54:SG	1:CYS59:SG

Source organism

Naja atra

Exptl. method

NMR

Refine. method

distance geometry and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 66.3 %, Completeness (bb): 61.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	66.3 % (439 of 662)	96.0 % (364 of 379)	26.5 % (75 of 283)
Backbone	61.4 % (181 of 295)	97.4 % (114 of 117)	37.6 % (67 of 178)
Sidechain	61.6 % (262 of 425)	95.4 % (250 of 262)	7.4 % (12 of 163)
Aromatic	50.0 % (22 of 44)	100.0 % (22 of 22)	0.0 % (0 of 22)
Methyl	57.6 % (38 of 66)	100.0 % (33 of 33)	15.2 % (5 of 33)

1. Cardiotoxin A3

LKCNKLVPLF YKTCPAGKNL CYKMFMVATP KVPVKRGCID VCPKSSLLVK YVCCNTDRCN

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Sample

Pressure 1.013 atm, Temperature 300 (±0.5) K, pH 5.96 (±0.05), Details 10mM phosphate buffer was added to maintain the pH value at 6.0.

#	Name	Isotope labeling	Type	Concentration
1	Cardiotoxin A3			5 mM
2	phosphate buffer			10 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1I02, Strand ID: A Detail

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Release date

2001-03-05

Citation 1

Dynamic characterization of the water binding loop in the P-type cardiotoxin: implication for the role of the bound water molecule
Sue, S., Jarrell, H.C., Brisson, J., Wu, W.
Biochemistry (2001), 40, 12782-12794, PubMed 11669614 , DOI: , Abstract

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Citation 2

Cardiotoxin III from the Taiwan cobra (Naja naja atra). Determination of structure in solution and comparison with short neurotoxins
Bhaskaran, R., Huang, C.C., Chang, D.K., Yu, C.
J. Mol. Biol. (1994), 235, 1291-1301, PubMed 8308891 , DOI 10.1006/jmbi.1994.1082 , Abstract

Citation 3

The role of acidic amino acid residues in the structural stability of snake cardiotoxins
Chiang, C.M., Chang, S.L., Lin, H.J., Wu, W.G.
Biochemistry (1996), 35, 9177-9186, PubMed 8703923 , DOI 10.1021/bi960077t , Abstract

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Related entities 1. Cardiotoxin A3, : 1 : 7 : 7 : 2 : 185 entities Detail

Experiments performed 4 experiments Detail