BMRB: 4419

NMR structure with tightly bound water molecules of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution (major form)

Authors

Dementieva, D.V., Bocharov, E.V., Arseniev, A.S.

Assembly

cytotoxin 2, major form

Entity

1. cytotoxin 2, major form (polymer), 60 monomers, 6636.139 Da Detail

LKCKKLVPLF SKTCPAGKNL CYKMFMVAAP HVPVKRGCID VCPKSSLLVK YVCCNTDKCN

Formula weight

6636.139 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 oxiana

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING BY MOLECULAR DYNAMICS IN TORSION ANGLE SPACE

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.7 %, Completeness (bb): 97.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.7 % (370 of 375)	98.7 % (370 of 375)
Backbone	97.4 % (114 of 117)	97.4 % (114 of 117)
Sidechain	99.2 % (256 of 258)	99.2 % (256 of 258)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (33 of 33)	100.0 % (33 of 33)

1. cytotoxin 2

LKCKKLVPLF SKTCPAGKNL CYKMFMVAAP HVPVKRGCID VCPKSSLLVK YVCCNTDKCN

Show sample condition

Sample

Temperature 303 (±0.5) K, pH 5.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cytotoxin 2			5.0 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 1CB9, Strand ID: A Detail

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Coupling constant

52 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 303 (±0.5) K, pH 5.5 (±0.1) Detail

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Temperature 303 (±0.5) K, pH 5.5 (±0.1)

List #1 coupling_constants_set_1, Field strength (¹H) 600 MHz

Release date

1999-11-11

Citation 1

Two forms of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution: spatial structures with tightly bound water molecules
Dementieva, D.V., Bocharov, E.V., Arseniev, A.S.
Eur. J. Biochem. (1999), 263, 152-162, PubMed 10429199 , Abstract

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Citation 2

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

Citation 3

Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guntert, P., Mumenthaler, C., Wuthrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Citation 4

MOLMOL: a program for display and analysis of macromolecular structures
Koradi, R., Billeter, M., Wuthrich, K.
J. Mol. Graph. (1996), 14, 51-5, 29, PubMed 8744573 , DOI: , Abstract

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Related entities 1. cytotoxin 2, major form, : 1 : 3 : 1 : 2 : 192 entities Detail

Experiments performed 4 experiments Detail