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. 2021 Jul 14;38(8):94. doi: 10.1007/s12032-021-01513-x

Table 5.

Hydrogen bond interaction parameters for each compound with BCL2

Receptor Compound Donor atom Receptor atom Distances (Å)
1g 5m ZINC000002525131 ILE14:HN ASP10:O 1.74
HIS186:HN LEU181:O 2.36
HIS186:HD1 ASN182:OD1 2.1
ILE189:HN LEU185:O 1.68
ILE189:HN HIS186:O 2.56
GLN190:HN HIS186:O 2.26
GLN190:HE21 HIS186:NE2 2.45
GLY194:HN ILE189:O 1.73
TRP195:HN ZINC000002525131:O18 2.41
ZINC000002525131:H47 ASN182:OD1 2
ZINC000002525131:H49 ZINC000002525131:O18 1.84
ZINC000002525131:H52 GLN190:OE1 2.3
ZINC000002525131:H52 ZINC000002525131:O28 1.93
GLY194:HA1 ILE189:O 2.65
TRP195:HD1 ZINC000002525131:O18 3.03
ZINC000013298233 THR7:HN ZINC000013298233:O14 1.59
TYR9:HN ZINC000013298233:O23 2.1
ASP10:HN ZINC000013298233:O23 2.84
ASN11:HN ZINC000013298233:O23 2.28
ILE14:HN ASP10:O 1.74
HIS186:HN LEU181:O 2.36
HIS186:HD1 ASN182:OD1 2.1
HIS186:HD1 ZINC000013298233:O29 2.31
ILE189:HN LEU185:O 1.68
ILE189:HN HIS186:O 2.59
GLN190:HN HIS186:O 2.26
GLN190:HE21 HIS186:NE2 2.45
GLY194:HN ILE189:O 1.73
ARG6:HA ZINC000013298233:O14 2.7
THR7:HB ARG6:O 2.25
GLY8:HA1 ZINC000013298233:O19 2.94
GLY194:HA1 ILE189:O 2.65
ZINC000013298233:H47 ALA4:O 2.83
Obatoclax GLY5:HN HIS3:O 1.95
ILE14:HN ASP10:O 1.74
HIS186:HN LEU181:O 2.36
HIS186:HD1 ASN182:OD1 2.1
ILE189:HN LEU185:O 1.68
ILE189:HN HIS186:O 2.59
GLN190:HN HIS186:O 2.26
GLN190:HE21 HIS186:NE2 2.45
GLY194:HN ILE189:O 1.73
Obatoclax:H36 Obatoclax:N15 2.3
ARG6:HA Obatoclax:O2 2.57
ARG6:HD1 GLY5:O 2.74
ARG6:HD2 GLY5:O 3.02
THR7:HB ARG6:O 2.25
GLY194:HA1 ILE189:O 2.65
Obatoclax:H26 GLY5:O 3.04