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. 2022 Jun 28;2022:2006451. doi: 10.1155/2022/2006451

Table 9.

Binding affinity of compounds against ribosyltransferase (code: 3GEY).

Docking 3GEY
Compound Scoring energy (RMSD) Involved amino acids Type of interaction
Ligand −4.5209 (1.9) --- Solvent contact
Zr(IV) complex −7.2857 (0.8) Asp-A623 Side chain acceptor
V(IV) complex −8.4417 (2.6) Asn-A620 Side chain donor
Ru(III) complex −8.4842 (2.8) (His-B550 and Lys-A525) and Gln-B470 Arene-cation interaction and side chain donor
Cd(II) complex −5.5194 (2.9) Gln-B549, Asp-A623, His-B469 and His-B550 Side chain donor, side chain acceptor, backbone acceptor, and arene-cation interaction