From: CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction
CASP ID | Template | Oligomeric state | Ligand | Lowest RMSD | ||
---|---|---|---|---|---|---|
L_RMSD ≤ 2.0 Å | 2.0 Å < L_RMSD ≤ 5.0 Å | L_RMSD > 5.0 Å | ||||
H1114a | 5Y4N, 4UE3, 4KO2, 2FRV | A4B8C8 | 7/56 | 0.65(001/3NI) 1.20(009/F3S) 0.56(017/F3S) 0.69(025/F3S) 0.82(033/FCO) 1.28(041/MG) | 3.87(049/MQ7) | Â |
R1117 | 2L1V, 3FU2 | A1 | 1/1 | 1.17(001/PRF) | Â | Â |
T1118b | 5JJ5,6Z8A | A1 | 5/9 | 0.40(002/FE) | 4.15(001/FE) 4.35(004/LIG) 4.73(005/LIG) | 9.13(003/LIG) |
T1124 | 7WDW | A2 | 2/4 | 1.92(001/SAH) | 2.71(003/TYR) | Â |
R1126 | 5OB3, 7L0Z | A1 | 1/1 | Â | Â | 27.29(001/K) |
T1127 | 3BJ7, 3BJ8, 2B4D, 2B4B, 2JEV, 2B58 | A2 | 2/5 | Â | 3.17(001/COA) 2.16(003/EPE) | Â |
H1135 | 6R16, 6R15, 6R2I | A9B3 | 2/12 | 0.08(004/K) | Â | 11.32(001/CL) |
R1136 | 4KZD, 5OB3 | A1 | 3/3 | Â | Â | 72.05(001/1TU) 24.27(002/J93) 64.57(003/K) |
T1146 | 4Q5K, 4Q68 | A1 | 1/1 | 0.58(001/NAG) | Â | Â |
T1152 | 4B8V | A2 | 1/1 | 0.81(001/NAG) | Â | Â |
T1158v1 | 5UJA, 6D3R, 6PZ9, 6PZI, 6UY0 | A1 | 1/1 | 1.85(001/XPG) | Â | Â |
T1158v2 | 5UJA, 6D3R, 6PZ9, 6PZI, 6UY0 | A1 | 1/1 | Â | 3.90(001/P2E) | Â |
T1158v3 | 5UJA, 6D3R, 6PZ9, 6PZI, 6UY0 | A1 | 1/1 | 1.66(001/XH0) | Â | Â |
T1158v4 | 5UJA, 6D3R, 6PZ9, 6PZI, 6UY0 | A1 | 4/4 | 0.79(001/ATP) 1.24(002/ATP) 0.14(003/2MG) 0.65(004/2MG) | Â | Â |
T1170 | 6CHS | A6 | 3/9 | 1.20(001/ADP) 0.77(007/MG) | 2.45(004/AGS) | Â |
H1171 | 6CHS | A6B1 | 3/9 | 1.52(001/ADP) 1.57(007/MG) | 2.48(004/AGS) | Â |
H1172 | 6CHS | A6B2 | 3/9 | 1.06(007/MG) | 2.09(001/ADP) 2.38(004/AGS) | Â |
T1181 | 5W6H, 4OJ6, 4OJ5, 4OJP, 4OJO | A3 | 6/8 | Â | 4.45(006/ZN) | 10.63(001/OAA) 16.33(002/OAA) 36.99(005/ZN) 5.69(007/ZN) 27.23(008/CA) |
T1186 | 1FCM, 4R1G | A1 | 1/1 | 1.05(001/LIG) | Â | Â |
T1187 | – | A2 | 1/2 |  |  | 14.36(001/NAG) |
T1188 | 2YBT, 6BT9 | A1 | 5/5 | Â | 3.96(001/DW0) 2.05(004/CD) | 6.02(002/DW0) 11.01(003/CD) 15.42(005/CO) |