BMRB: 4891

1H chemical shift assignments for cobrotoxin II

Authors

Cheng, Y., Wang, W., Wang, J.

Assembly

chinese cobrotoxin

Entity

1. chinese cobrotoxin (polymer, Thiol state: all disulfide bound), 62 monomers, 6861.489 Da Detail

LECHNQQSSQ TPTTTGCSGG ENNCYKKEWR DNRGYRTERG CGCPSVKKGI GINCCTTDRC NN

Formula weight

6861.489 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:CYS24:SG
2	disulfide	sing	1:CYS17:SG	1:CYS41:SG
3	disulfide	sing	1:CYS43:SG	1:CYS54:SG
4	disulfide	sing	1:CYS55:SG	1:CYS60:SG

Source organism

Naja kaouthia

Exptl. method

NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.5 %, Completeness (bb): 99.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.5 % (339 of 355)	95.5 % (339 of 355)
Backbone	99.2 % (129 of 130)	99.2 % (129 of 130)
Sidechain	93.3 % (210 of 225)	93.3 % (210 of 225)
Aromatic	87.5 % (14 of 16)	87.5 % (14 of 16)
Methyl	100.0 % (15 of 15)	100.0 % (15 of 15)

1. cobrotoxin, neurotoxin

LECHNQQSSQ TPTTTGCSGG ENNCYKKEWR DNRGYRTERG CGCPSVKKGI GINCCTTDRC NN

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Sample

Temperature 300 (±1) K, pH 4.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	cobrotoxin, neurotoxin			4 mM
2	H2O			90 %
3	D2O			10 %

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Protein Blocks Logo

Calculated from 18 models in PDB: 1G6M, Strand ID: A Detail

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Release date

2000-11-02

Citation 1

1H Assigned Chemical Shifts for Neurotoxin B (ntb)
Cheng, Y., Wang, W., Wang, J.

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Citation 2

Solution conformation of cobrotoxin: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study
Yu, C., Bhaskaran, R., Chuang, L.C., Yang, C.C.
Biochemistry (1993), 32, 2131-2136, PubMed 8443154 , DOI: , Abstract

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Related entities 1. chinese cobrotoxin, : 1 : 1 : 179 entities Detail

Experiments performed 5 experiments Detail