Table 3. Distances between Heteroatoms of the Vinca Site of Tubulin and Those of VLB, Metabolites 8, 10, and 11 Involved in Hydrogen Bonds.
| distance
among hydrogen bond donor (HBD) and hydrogen
bond acceptor (HBA) atoms (Å) |
|||||
|---|---|---|---|---|---|
| subunit | H-bonds interactions | VLB | MTB8 | MTB10 | MTB11 |
| CT | N16′ + Lys176 | 2.3 | 2.2 | 2.4 | 2.3 |
| OH + Val177 | 1.9 | 2.0 | 2.0 | 1.7 | |
| VD | ester C4 + Asn329 | 2.1 | 2.0 | 2.1 | 1.9 |
| ester C3 + Lys336 | 2.3 | 2.4 | 2.6 | 2.5 | |
| ΔGbinding (kJ/mol) | –11.23 | –12.18 | –13.39 | –14.24 | |