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NMR solution structure of tamapin, mutant K27A
Authors
del Rio Portilla, F., Melchor Meneses, C.M., Titaux Delgado, G.A., 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 SCRSLGLLGK CIGEECACVP Y


Formula weight
3408.05 Da
Entity Connection
disulfide 3 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS21:SG
2disulfidesing1:CYS8:SG1:CYS26:SG
3disulfidesing1:CYS12:SG1:CYS28:SG

Source organism
Mesobuthus tamulus
Exptl. method
solution NMR
Refine. method
molecular dynamics
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 96.1 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

Total1H
All96.1 % (172 of 179)96.1 % (172 of 179)
Backbone98.4 % (63 of 64)98.4 % (63 of 64)
Sidechain94.8 % (109 of 115)94.8 % (109 of 115)
Aromatic88.9 % (8 of 9)88.9 % (8 of 9)
Methyl81.3 % (13 of 16)81.3 % (13 of 16)

1. entity 1

AFCNLRRCEL SCRSLGLLGK CIGEECACVP Y

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1.8 mM Potassium channel toxin alpha_ktx 5.4, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1Potassium channel toxin alpha_ktx 5.4natural abundance1.8 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 6D9P, Strand ID: A Detail


Release date
2018-05-07
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 ,
Related entities 1. Potassium channel toxin alpha-KTx 5.4, : 1 : 14 : 42 entities Detail
Experiments performed 2 experiments Detail
NMR combined restraints 3 contents Detail
Keywords CSalpha/beta, K27A, SK channels, TOXIN, Tamapin mutant