BMRB: 4815

NMR structure of Cardiotoxin in DPC-micelle

Authors

Dubovskii, P.V., Dementieva, D.V., Bocharov, E.V., Utkin, Y.N., Arseniev, A.S.

Assembly

CYTOTOXIN 2

Entity

1. CYTOTOXIN 2 (polymer, Thiol state: all disulfide bound), 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

torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.1 %, Completeness (bb): 98.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.1 % (368 of 375)	98.1 % (368 of 375)
Backbone	98.3 % (115 of 117)	98.3 % (115 of 117)
Sidechain	98.1 % (253 of 258)	98.1 % (253 of 258)
Aromatic	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	97.0 % (32 of 33)	97.0 % (32 of 33)

1. CYTOTOXIN 2

LKCKKLVPLF SKTCPAGKNL CYKMFMVAAP HVPVKRGCID VCPKSSLLVK YVCCNTDKCN

Show sample condition

Sample

Temperature 318 (±0.5) K, pH 5.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	CYTOTOXIN 2			3.0 mM
2	perdeuterated dodecylphosphocholine			120 mM
3	H2O			90 %
4	D2O			10 %

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

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Coupling constant

52 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 318 (±0.5) K, pH 5.5 (±0.2) Detail

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Temperature 318 (±0.5) K, pH 5.5 (±0.2)

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

Release date

2000-11-12

Citation 1

Membrane binding motif of the P-type cardiotoxin
Dubovskii, P.V., Dementieva, D.V., Bocharov, E.V., Utkin, Y.N., Arseniev, A.S.
J. Mol. Biol. (2001), 305, 137-149, PubMed 11114253 , DOI 10.1006/jmbi.2000.4283 , 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
Guentert, P., Mumenthaler, C., Wuethrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Hide non-primary 2 citaions

Related entities 1. CYTOTOXIN 2, : 1 : 3 : 1 : 2 : 192 entities Detail

Experiments performed 4 experiments Detail