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 |