Binding information for 2c1b_ligand_3_10.mol2(FDBF02227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1b_ligand_3_10.mol2 | 2c1b | 0.682927 | -5.94 | CO[C@H]1C[NH2+][C@@H](C1)C | 8 |
Structure and binding mode of 2c1b_ligand_3_10.mol2(FDBF02227)
Important binding residues for 2c1b_ligand_3_10.mol2(FDBF02227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1b | GLU91 | -0.01 | -26.22 | -26.23 | 25.93 | -0.31 |
| 2c1b | GLU127 | 0.36 | -46.19 | -45.83 | 43.08 | -2.76 |
| 2c1b | GLU170 | -0.74 | -25.21 | -25.95 | 25.60 | -0.34 |
| 2c1b | ASN171 | -0.56 | -5.31 | -5.87 | 5.53 | -0.34 |
