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. 2020 Jun 27;12(7):425. doi: 10.3390/toxins12070425

Table 2.

Cardiolipin (CL) and phosphatidylcholine (PC) binding sites on molecular surfaces of CTI and CTII determined by AutoDock computation. Amino acid residues shaded gray represent the surface area in CTI where binding sites of CL and PC overlap, thus these residues represent a common lipid binding site both for CL and PC.

Amino Acid Residues on the Molecular Surfaces of CTII and CTI that Bind to CL and PC
# CTII + CL CTII + PC CTI + CL CTI + PC
1 K23, R36 K44, S45, K50, C53 K18, K35, R36, C38 K35, C38
2 K23 K18, K35, C38 K12, K35 Y22, R36, C38
3 K5, K12, K35 K35 L9, Y22, C38
4 K5, K18, K35
Total number of binding sites for
CL and PC available on CTII
Total number of binding sites for
CL and PC available on CTI
7 (4 CL + 3 PC) 4 (3 CL + 1 PC)