5UOY
Crystal structure of human PDE1B catalytic domain in complex with inhibitor 16j (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)methyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue ZN A 601 |
| Chain | Residue |
| A | HIS227 |
| A | HIS263 |
| A | ASP264 |
| A | ASP370 |
| A | HOH712 |
| A | HOH755 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 602 |
| Chain | Residue |
| A | HOH743 |
| A | HOH746 |
| A | HOH803 |
| A | ASP264 |
| A | HOH712 |
| A | HOH740 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue 8HM A 603 |
| Chain | Residue |
| A | TYR222 |
| A | HIS373 |
| A | LEU388 |
| A | MET389 |
| A | PHE392 |
| A | PRO408 |
| A | LEU409 |
| A | GLN421 |
| A | PHE424 |
| A | HOH704 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue 8HM A 604 |
| Chain | Residue |
| A | TYR150 |
| A | ARG181 |
| A | THR182 |
| A | PHE185 |
| A | THR201 |
| A | MET205 |
| A | PRO408 |
| A | PHE427 |
| A | HOH721 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDYeHtGttNsF |
| Chain | Residue | Details |
| A | HIS263-PHE274 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1TAZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NPV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NPW","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
