BMRB: 5690

1H, 13C, and 15N Chemical Shift Assignments for Cobra Neurotoxin II

Authors

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

Assembly

cobra neurotoxin II

Entity

1. cobra neurotoxin II (polymer, Thiol state: all disulfide bound), 61 monomers, 6884.692 Da Detail

LECHNQQSSQ PPTTKTCSGE TNCYKKWWSD HRGTIIERGC GCPKVKPGVN LNCCRTDRCN N

Formula weight

6884.692 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS3:SG	1:CYS23:SG
2	disulfide	sing	0:CYS17:SG	1:CYS40:SG
3	disulfide	sing	0:CYS42:SG	1:CYS53:SG
4	disulfide	sing	0:CYS54:SG	1:CYS59:SG

Source organism

Naja oxiana

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.3 %, Completeness (bb): 98.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	99.3 % (683 of 688)	100.0 % (365 of 365)	98.0 % (250 of 255)	100.0 % (68 of 68)
Backbone	98.6 % (353 of 358)	100.0 % (123 of 123)	97.2 % (173 of 178)	100.0 % (57 of 57)
Sidechain	100.0 % (386 of 386)	100.0 % (242 of 242)	100.0 % (133 of 133)	100.0 % (11 of 11)
Aromatic	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (18 of 18)	100.0 % (2 of 2)
Methyl	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)

1. neurotoxin II

LECHNQQSSQ PPTTKTCSGE TNCYKKWWSD HRGTIIERGC GCPKVKPGVN LNCCRTDRCN N

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Sample

Temperature 303 (±0.5) K, pH 3.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	neurotoxin II	[U-95% 13C; U-95% 15N]		2 mM

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LACS Plot; CA

Referencing offset: 0.14 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: 0.14 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.06 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: 0.77 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 19 models in PDB: 1NOR, Strand ID: A Detail

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Release date

2003-05-07

Citation 1

Bacterial expession of isotope labeled snake neurotoxin, disulfide-rich protein
Lyukmanova, E.N., Bocharov, E.V., Ermolyuk, Y.S., Schulga, A.A., Pluzhnikov, K.A., Dolgikh, D.A., Arseniev, A.S., Kirpichnikov, M.P.

Show more 1 citaion

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

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Related entities 1. cobra neurotoxin II, : 1 : 2 : 8 : 172 entities Detail

Experiments performed 5 experiments Detail