BMRB: 30719

NMR solution structure of tamapin, mutant K20A

Authors

del Rio Portilla, F., Melchor Meneses, C.M., Mayorga Flores, M.

Assembly

Potassium channel toxin alpha-KTx 5.4

Entity

1. Potassium channel toxin alpha-KTx 5.4 (polymer, Thiol state: all disulfide bound), 31 monomers, 3408.050 Da Detail

AFCNLRRCEL SCRSLGLLGA CIGEECKCVP Y

Formula weight

3408.05 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:CYS21:SG
2	disulfide	sing	1:CYS8:SG	1:CYS26:SG
3	disulfide	sing	1:CYS12:SG	1:CYS28:SG

Source organism

Mesobuthus tamulus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.8 %, Completeness (bb): 98.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.8 % (175 of 179)	97.8 % (175 of 179)
Backbone	98.4 % (63 of 64)	98.4 % (63 of 64)
Sidechain	97.4 % (112 of 115)	97.4 % (112 of 115)
Aromatic	88.9 % (8 of 9)	88.9 % (8 of 9)
Methyl	87.5 % (14 of 16)	87.5 % (14 of 16)

1. entity 1

AFCNLRRCEL SCRSLGLLGA CIGEECKCVP Y

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2, Details 2.2 mM sample_k20a, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	sample_k20a	natural abundance		2.2 mM

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Release date

2020-02-02

Citation

Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Mayorga-Flores, M., Chantome, A., Melchor-Meneses, C.M., Domingo, I., Titaux-Delgado, G.A., Galindo-Murillo, R., Vandier, C., Del Rio-Portilla, F.
ACS Med. Chem. Lett. (2020), 11, 1627-1633, PubMed 32832033 , DOI 10.1021/acsmedchemlett.0c00300 , Abstract

Related entities 1. Potassium channel toxin alpha-KTx 5.4, : 1 : 14 : 49 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail