Table 1. Nearest neighbors and short contact distances (Å) of the four molecules and its derivatives with the amino acid residues of S. cerevisiae α-glucosidase.
Name | Distance | Name | Distance | |
---|---|---|---|---|
Molecule I | Molecule II | |||
H17...LEU176/CD | 3.010 | H18...ASP214/OD2 | 2.079 | |
H17...SER244/HG | 2.256 | O42...HIS239/HE2 | 1.917 | |
H31...SER244/HG | 3.136 | O38...ARG312/H | 1.675 | |
H33...LYS/O | 2.947 | H21... GLN350/ OE1 | 2.194 | |
H28...PHE311/H | 1.354 | H34... ASP349/OD1 | 2.528 | |
H47...GLU304/CD | 2.277 | H30... ASP349/ OD1 | 2.373 | |
H46...HIS279/CE1 | 2.685 | O19... GLN350/ OE1 | 2.500 | |
H48...ARG312/HH12 | 1.946 | H29... ARG312/ HH11 | 2.983 | |
Name | Distance | Name | Distance | |
Molecule I | Molecule II | |||
O41...VAL303/O | 3.447 | H47... ARG312 / CB | 2.399 | |
H38...GLN350/OE1 | 2.034 | O38...ARG312/H | 1.675 | |
- | - | H28... PHE157 / CE1 | 2.657 | |
- | - | H32... PHE177 / CE1 | 3.498 | |
- | - | O42...HIS239/HE1 | 1.917 | |
Molecule III | - | Molecule IV | - | |
O20...THR215/HG1 | 1.702 | H1...ASP214/OD1 | 2.037 | |
H21...THE215/HG1 | 1.785 | H55...ASP214/OD1 | 1.954 | |
O19...GLU276/OE1 | 3.079 | O32...GLU276/OE2 | 3.457 | |
H55...GLU350/OE1 | 2.151 | O22...HIS279/HE2 | 2.159 | |
H18...ASP349/O | 2.083 | O7...PHE157/CE2 | 3.076 | |
H33...ARG439/HH11 | 1.519 | O30...ASP349/OD2 | 2.775 | |
H31...PHE300/CE2 | 2.424 | O19...GLN350/OE1 | 2.731 | |
O42...HIS239/HE2 | 1.920 | H21...GLN350/OE1 | 2.977 | |
O42...LYS155/HZ1 | 2.716 | O20...ARG312/HH12 | 3.328 | |
H59...PHE157/O | 2.945 | O38...HIS239/HE2 | 1.976 | |
- | - | H39...PHE300/O | 2.587 |