3I8V
Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| A | 0007165 | biological_process | signal transduction |
| A | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| B | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| B | 0007165 | biological_process | signal transduction |
| B | 0008081 | molecular_function | phosphoric diester hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 2 |
| Chain | Residue |
| A | HOH114 |
| A | HIS376 |
| A | HIS412 |
| A | ASP413 |
| A | ASP530 |
| A | HOH634 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 623 |
| Chain | Residue |
| A | HOH151 |
| A | HOH174 |
| A | ASP413 |
| A | HOH6 |
| A | HOH64 |
| A | HOH114 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0MO A 1 |
| Chain | Residue |
| A | HOH105 |
| A | TYR371 |
| A | THR483 |
| A | MET485 |
| A | ASN533 |
| A | THR545 |
| A | ILE548 |
| A | PHE552 |
| A | MET569 |
| A | GLN581 |
| A | PHE584 |
| A | HOH634 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 3 |
| Chain | Residue |
| A | HIS366 |
| A | ASP415 |
| A | PRO417 |
| A | HOH685 |
| A | HOH686 |
| B | HIS366 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CO A 624 |
| Chain | Residue |
| A | ASP368 |
| A | HOH679 |
| B | HOH682 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN B 1 |
| Chain | Residue |
| B | HOH74 |
| B | HIS376 |
| B | HIS412 |
| B | ASP413 |
| B | ASP530 |
| B | HOH636 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 623 |
| Chain | Residue |
| B | HOH38 |
| B | HOH60 |
| B | HOH69 |
| B | HOH74 |
| B | HOH162 |
| B | ASP413 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0MO B 2 |
| Chain | Residue |
| B | HOH60 |
| B | HOH155 |
| B | MET485 |
| B | ASP530 |
| B | THR545 |
| B | ILE548 |
| B | MET549 |
| B | PHE552 |
| B | GLN581 |
| B | PHE584 |
| B | HOH636 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 624 |
| Chain | Residue |
| A | GLU500 |
| B | ASP586 |
| B | HIS590 |
| B | ARG615 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 625 |
| Chain | Residue |
| B | HOH262 |
| B | THR390 |
| B | ASP603 |
| B | ILE607 |
Functional Information from PROSITE/UniProt
| site_id | PS00126 |
| Number of Residues | 12 |
| Details | PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDVdHpGvsNqF |
| Chain | Residue | Details |
| A | HIS412-PHE423 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| 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 | 8 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| 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_FI4 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO)","evidences":[{"source":"PubMed","id":"20196770","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
