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. 2021 Aug 10;13(8):556. doi: 10.3390/toxins13080556

Table 1.

Structural characteristics and toxicity of r3FTXs and native 3FTXs.

Protein Disulfide-Linked Peptide
Toxin Expected MW (Da) 1 Observed MW (Da) Toxicity Secondary Structure 3 Peptide Sequence Mass Ion (m/z) Linkage Site(s)
LNTX 7815.66 7815.57 LD50 2: 0.15 33.5% β-sheet TWC26DAFC30SIR 616.2 (2+) C26-30
(0.12–0.19) 9.8% α-helix C3FITPDITSK 846.9 (7+) C3-C14
10.5% Turn DC14PNGHVC20YTK C20-C41
VDLGC41AATC45PTVK C45-C56
TGVDIQC56C57STDNC62NPFPTR C57-C62
rLNTX 7872.68 7872.58 LD50: 0.21 34.7% β-sheet TWC27DAFC31SIR 616.2 (2+) C27-31
(0.18–0.24) 9.2% α-helix C4FITPDITSK 846.9 (7+) C4-C15
9.9% Turn DC15PNGHVC21YTK C21-C42
VDLGC42AATC46PTVK C46-C57
TGVDIQC57C58STDNC63NPFPTR C58-C63
sNTX 6945.04 6944.97 LD50: 0.23 54.5% β-sheet LEC3HNQQSSQTPTTTGC17SGGETNC24YK 899.9 (6+) C3-C24
(0.17–0.26) 0.0% α-helix GC41GC43PSVK C17-C41
7.4% Turn NGIEINC54C55TTDR C43-C54
C60NN C55-C60
rsNTX 7001.06 7000.99 LD50: 0.25 53.4% β-sheet GLEC4HNQQSSQTPTTTGC18SGGETNC25YK 909.3 (6+) C4-C25
(0.19–0.33) 0.0% α-helix GC42GC44PSVK C18-C42
8.1% Turn NGIEINC55C56TTDR C44-C55
C61NN C56-C61
CTXA3 6734.43 6735.36 IC50 4: 1.93 54.5% β-sheet LKC3NK 701.9 (2+) C3-C21
(1.67–2.23) 0.0% α-helix NLC21YK
7.4% Turn TC14PAGK 561.4 (5+) C14-C38
GC38IDVC42PK C42-C53
YVC53C54NTDR C54-C59
C59N
rCTXA3 6791.45 6792.38 IC50 4: 2.02 53.4% β-sheet GLKC4NK 487.3 (3+) C4-C22
(1.88–2.15) 0.0 % α-helix NLC22YK
8.1% Turn TC15PAGK 561.5 (5+) C15-C39
GC39IDVC43PK C43-C54
YVC54C55NTDR C55-C60
C60N

1 Oxidized cysteine was considered in the calculation of the expected MW of the protein. 2 LD50 (μg/g, toxin amount/mouse body weight) indicates the amount of toxin (i.p.) that caused half of the ICR mice (19–22 g body weight, n = 6) death, which were calculated by the trimmed Spearman–Karber method. Values in brackets represent 95% confidence intervals. 3 Estimation by the BeStSel web server [30]. 4 The toxicity of cardiotoxin was expressed as the IC50 value (μg/g) corresponding to the concentration of toxin that caused half of human promyeloblast cells (HL-60 cell, 1 × 105/100 μL per toxin) lysis as described in a previous study [33].