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 |