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NMR structure of Bungatoxin from Bungarus Candidus (Malayan Krait venom)
Authors
Subramanian, V., D Jois, S., Kini, M.
Assembly
Bungatoxin
Entity
1. Bungatoxin (polymer, Thiol state: all disulfide bound), 65 monomers, 7451.634 Da Detail

LTCLICPEKD CQKVHTCRNE EKICVKRFYD KNQLGWRAQR GCAVSCPKAK PNETVQCCST DKCNK


Formula weight
7451.634 Da
Entity Connection
disulfide 5 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS24:SG
2disulfidesing1:CYS6:SG1:CYS11:SG
3disulfidesing1:CYS17:SG1:CYS42:SG
4disulfidesing1:CYS46:SG1:CYS57:SG
5disulfidesing1:CYS58:SG1:CYS63:SG

Source organism
Bungarus candidus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 85.2 %, Completeness (bb): 99.2 % Detail

Polymer type: polypeptide(L)

Total1H
All85.2 % (346 of 406)85.2 % (346 of 406)
Backbone99.2 % (128 of 129)99.2 % (128 of 129)
Sidechain78.7 % (218 of 277)78.7 % (218 of 277)
Aromatic64.7 % (11 of 17)64.7 % (11 of 17)
Methyl84.0 % (21 of 25)84.0 % (21 of 25)

1. Bungatoxin

LTCLICPEKD CQKVHTCRNE EKICVKRFYD KNQLGWRAQR GCAVSCPKAK PNETVQCCST DKCNK

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 (±1) K, pH 5.5


#NameIsotope labelingTypeConcentration
1Bungatoxin from Bangarus Candidusnatural abundance1 mM
2H2Onatural abundance90 %
3D2O10 %

Release date
2012-08-02
Citation
chemical shift values for Bungatoxin
Subramanian, V., D Jois, S., Kini, M.
Related entities 1. Bungatoxin, : 1 : 1 : 1 : 114 entities Detail
Experiments performed 3 experiments Detail
Chemical shift validation 3 contents Detail
Keywords Bungatoxin, NMR structure