TABLE 5

Hydrogen bonds and electrostatic interactions in model II of HSA-CS-866 complex


Donor



Acceptor



Distance
Å
Hydrogen bonds
    Asn-391 Nδ2 Tetrazole N2 2.9
    Tyr-411 Oη Ester —O— 2.8
    Lys-414 Nη C=O 2.7
    Ser-489 Oγ —O— 4.7

Oγ
Propan-2-ol
OH
4.1
Positive

Negative


Electrostatic interactions
    Arg-485
Nη1
Tetrazole
N3
3.5