BMRB: 30872

Solution structure of tarantula toxin omega-Avsp1a

Authors

Chin, Y.K.Y., Herzig, V., King, G.F.

Assembly

Omega-Avsp1a

Entity

1. Omega-Avsp1a (polymer, Thiol state: all disulfide bound), 37 monomers, 4232.786 Da Detail

GDCHKFLGWC RGEPDPCCEH LSCSRKHGWC VWDWTVX

Formula weight

4232.786 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:CYS18:SG
2	disulfide	sing	1:CYS10:SG	1:CYS23:SG
3	disulfide	sing	1:CYS17:SG	1:CYS30:SG

Source organism

Avicularia sp. AVIC29FPM

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 89.0 %, Completeness (bb): 82.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.0 % (371 of 417)	95.8 % (206 of 215)	77.2 % (125 of 162)	100.0 % (40 of 40)
Backbone	82.5 % (175 of 212)	97.3 % (72 of 74)	66.3 % (69 of 104)	100.0 % (34 of 34)
Sidechain	96.2 % (228 of 237)	95.0 % (134 of 141)	97.8 % (88 of 90)	100.0 % (6 of 6)
Aromatic	97.1 % (68 of 70)	100.0 % (35 of 35)	93.5 % (29 of 31)	100.0 % (4 of 4)
Methyl	100.0 % (18 of 18)	100.0 % (9 of 9)	100.0 % (9 of 9)

1. entity 1

GDCHKFLGWC RGEPDPCCEH LSCSRKHGWC VWDWTVX

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Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 3.6, Details 4.7 mg/mL Asvp1a, 20 mM sodium phosphate, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Asvp1a	natural abundance		4.7 mg/mL
2	sodium phosphate	natural abundance		20 mM

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Release date

2021-03-21

Citation

The Tarantula Toxin ω-Avsp1a Specifically Inhibits Human Ca_V3.1 and Ca_V3.3 via the Extracellular S3-S4 Loop of the Domain 1 Voltage-Sensor
Herzig, V., Chen, Y.C., Chin, Y.K., Dekan, Z., Chang, Y.W., Yu, H.M., Alewood, P.F., Chen, C.C., King, G.F.
Biomedicines (2022), 10, 1066-1066, PubMed 35625803 , DOI 10.3390/biomedicines10051066 , Abstract

Related entities 1. Omega-Avsp1a, : 1 : 122 entities Detail

Experiments performed 4 experiments Detail