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Table 2 Details of intermolecular interactions in the binding site of orphan human cytochrome P450 4X1

From: Computational identification and binding analysis of orphan human cytochrome P450 4X1 enzyme with substrates

Ligand complex Hydrophobic Polar Other
Arachidonic acid O1 [3.81]- GLN114 C4 [3.87] - TYR112 C8 [3.80]- GLN114
C17 [2.99] - ILE223 C13 [3.35]- GLN114
C14 [3.51] - ILE223 C18 [3.77] - GLN114
C19 [3.80] - ILE223 C4 [3.83] - GLN114
C12 [3.29] - PHE247 O2 [3.49]- ALA126
C15 [3.89] - PHE247 O2 [3.53] - LEU315
C17 [3.40] - LEU315 C6 [3.78] - SER385
C14 [3.27]- LEU315
C10 [3.53] - LEU315
C11[3.43] - LEU315
C20 [3.60]-LEU315
C19 [3.41] - PHE491
C16 [3.69]-PHE491
C6 [3.40] - PHE491
C9 [3.70] - PHE491
C5 [3.70] - PHE491
C2 [3.38] – PHE491
C4 [3.51] – PHE491
Anandamide C16 [3.25] -TYR112   C16 [3.86] -TYR112
C1 [3.43] -LEU121 C13 [3.51]-GLN114
C8 [3.70] -LEU121 C10 [3.89] -GLN114
C3 [3.89] - LEU121 C9 [3.61]-GLN114
C2 [3.81] -LEU121 C21 [3.24] -GLN114
C4 [3.43] -LEU121 C19 [3.09] -GLN114
C1 [3.78] -ALA126 O1 [3.24]- ALA126
C4 [3.48] -ALA126 O2 [3.36]- PHE491
C18 [3.80] - ILE222
C20 [3.76] - ILE222
C14 [3.73] -ILE223
C11 [3.84] - ILE223
C20 [3.56] - HIS225
C17 [3.66] - HIS225
C10 [3.75] - PHE247
C3 [3.54]- LEU315
C5 [3.83] -ALA316
C7 [3.29] - ALA316
C19 [3.34] -PHE491
C21 [3.48] -PHE491
C14 [3.51] -PHE491
C11 [3.70] - PHE491
C15 [3.85] -PHE491
C22 [3.76] -PHE491