Interaction analysis in the binding pockets of top 4 complexes in term of binding affinity predicted by our MathDL models.
PDB ID | Ligand ID | Hydrogen bond | Covalent bond |
---|---|---|---|
7c8t | Nol | His163, His164, Cys145, Gln189, Gly143, Glu166 | Cys145 |
5rg1 | T9J | His163, Glu166 | |
6xhm | V2m | His163, His164, Cys145, Gln189, Phe140 | Cys145 |
7bqy | N3 | His163, His164, Cys145, Gln189, Thr190, Glu166, Phe140, Gly143 | Cys145 |