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. 2020 Feb;16(1):31–44. doi: 10.2174/1573409914666181022142553

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