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 |