3HC8
Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PD4 A 901 |
| Chain | Residue |
| A | HOH78 |
| A | LEU804 |
| A | GLN817 |
| A | PHE820 |
| A | HOH878 |
| A | HOH405 |
| A | ALA545 |
| A | TYR612 |
| A | ILE729 |
| A | ALA767 |
| A | ILE768 |
| A | GLN775 |
| A | VAL782 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN A 864 |
| Chain | Residue |
| A | HOH13 |
| A | HIS617 |
| A | HIS653 |
| A | ASP654 |
| A | ASP764 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 865 |
| Chain | Residue |
| A | HOH13 |
| A | HOH88 |
| A | HOH463 |
| A | HOH465 |
| A | ASP654 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 1 |
| Chain | Residue |
| A | PHE588 |
| A | SER705 |
| A | GLU707 |
| A | GLU708 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHpGvsNqF |
| Chain | Residue | Details |
| A | HIS653-PHE664 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17727341","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JUL-2009","submissionDatabase":"PDB data bank","title":"Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone.","authors":["Cheng R.K.Y.","Crawley L.","Barker J.","Wood M.","Felicetti B.","Whittaker M."]}},{"source":"PDB","id":"2QYK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3I8V","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
