Table 2.
Intermolecular Interactions Between FCGs and Target Proteins.
| Proteins | Compound | Binding Energy (kcal/mol) |
Binding Residues |
|---|---|---|---|
| PPARγ | FCG1 | −5.4 | TYR-63 |
| FCG2 | −5.3 | MET-22 ILE-37 | |
| FCG3 | −5.9 | ASN-8 LEU-47 MET-22 | |
| FCG4 | −6.0 | TYR-63 GLY-62 VAL-60 ASP-58 ASN-46 ARG-47 | |
| INSR | FCG1 | −7.2 | LEU-1002 HIS-1081 SER-1086 |
| FCG2 | −6.7 | ALA-1080 ASP-1083 | |
| FCG3 | −6.9 | ASP-1083 SER-1086 ARG-1089 GLU-1096 | |
| FCG4 | −8.1 | ASP-1083 LYS-1085 | |
| PI3K | FCG1 | −9.9 | GLN-291 LYS-298 ASP-654 HIS-658 ARG-849 |
| FCG2 | −8.5 | GLU-852 ARG-849 GLN-846 GLU-880 ASP-788 ARG-690 ARG-277 | |
| FCG3 | −9.5 | LYS-298 PRO-866 GLY-868 | |
| FCG4 | −10.4 | LYS-298 GLN-291 PRO-866 ARG-849 HIS-658 LEU-657 ASP-654 | |
| AKT1 | FCG1 | −7.6 | ARG-15 |
| FCG2 | −7.2 | GLU-32 ARG-328 ASP-325 ASN-324 | |
| FCG3 | −8.6 | LYS-276 ASN-279 GLU-85 | |
| FCG4 | −7.8 | ARG-346 GLY-345 LEU-347 PRO-348 | |
| NF-κB1 | FCG1 | −7.1 | ASN-219 GLN-435 |
| FCG2 | −7.2 | GLN-439 GLN-435 ASN-257 ASP-261 | |
| FCG3 | −8.6 | ASP-316 ASN-394 VAL-312 ASN-352 SER-351 TRP-318 ASN-310 ASP-271 | |
| FCG4 | −8.2 | LYS-299 GLN-435 LYS-431 ASN-257 | |
| RELA | FCG1 | −7.9 | LYS-140 GLU-182 ARG-85 |
| FCG2 | −6.8 | TYR-25 | |
| FCG3 | −7.8 | LYS-122 ARG-132 ASN-42 | |
| FCG4 | −7.3 | GLU-133 SER-63 ARG-85 | |
| TNF | FCG1 | −8.0 | GLU-110 GLY-108 GLU-107 LYS-103 PRO-102 ASP-104 |
| FCG2 | −8.6 | GLU-107 PRO-102 LYS-112 | |
| FCG3 | −9.6 | GLU-116 CYS-101 PRO-100 SER-99 | |
| FCG4 | −8.2 | GLU-107 GLY-108 GLY-68 LYS-112 | |
| IL6 | FCG1 | −7.3 | ASP-160 LYS-46 ARG-104 GLN-159 |
| FCG2 | −7.0 | ASP-140 ASN-144 GLU-93 | |
| FCG3 | −6.8 | ASN-144 LYS-66 | |
| FCG4 | −7.6 | LYS-46 GLN-156 ARG-104 | |
| BAX | FCG1 | −8.0 | ASN-104 LEU-47 PRO-130 |
| FCG2 | −6.9 | LEU-47 ALA-42 GIN-28 GLU-41 | |
| FCG3 | −6.5 | ASP-98 ASP-102 MET-99 GLN-52 LYS-57 | |
| FCG4 | −7.0 | ALA-35 ASN-104 | |
| BCL-2 | FCG1 | −8.3 | PRO-163 GLY-162 SER-75 |
| FCG2 | −9.2 | ASP-62 ARG-66 ARG-26 ARG-68 LYS-22 | |
| FCG3 | −9.1 | TYR-67 TYR-161 ARG-66 ARG-26 ARG-68 ARG-65 | |
| FCG4 | −9.3 | PRO-163 GLU-119 ARG-66 ARG-26 |