BMRB: 11535

Solution structure of navitoxin

Authors

Umetsu, Y., Ohki, S.

Assembly

Navitoxin

Entity

1. Navitoxin (polymer, Thiol state: all disulfide bound), 30 monomers, 3272.812 Da Detail

FSCDHSACAV RCLAQRRKGG KCKNGDCVCR

Formula weight

3272.812 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS22:SG
2	disulfide	sing	1:CYS8:SG	1:CYS27:SG
3	disulfide	sing	1:CYS12:SG	1:CYS29:SG

Source organism

Nasonia vitripennis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.8 %, Completeness (bb): 98.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.8 % (168 of 170)	98.8 % (168 of 170)
Backbone	98.4 % (62 of 63)	98.4 % (62 of 63)
Sidechain	99.1 % (106 of 107)	99.1 % (106 of 107)
Aromatic	85.7 % (6 of 7)	85.7 % (6 of 7)
Methyl	100.0 % (9 of 9)	100.0 % (9 of 9)

1. entity

FSCDHSACAV RCLAQRRKGG KCKNGDCVCR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 3.0

#	Name	Isotope labeling	Type	Concentration
1	entity	natural abundance	protein	1 mM
2	H2O		solvent	90 %
3	D2O		solvent	10 %

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Calculated from 20 models in PDB: 2RTY, Strand ID: A Detail

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Release date

2014-04-21

Citation

Experimental conversion of a defensin into a neurotoxin: implications for origin of toxic function
Zhu, S., Peigneur, S., Gao, B., Umetsu, Y., Ohki, S., Tytgat, J.
Mol. Biol. Evol. (2014), 31, 546-559, PubMed 24425781 , DOI 10.1093/molbev/msu038 , Abstract

Related entities 1. Navitoxin, : 1 : 56 entities Detail

Experiments performed 2 experiments Detail