1XON
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Piclamilast
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 1001 |
| Chain | Residue |
| A | HIS164 |
| A | HIS200 |
| A | ASP201 |
| A | ASP318 |
| A | HOH1007 |
| A | HOH1008 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1002 |
| Chain | Residue |
| A | HOH1005 |
| A | HOH1006 |
| A | HOH1007 |
| A | ASP201 |
| A | HOH1003 |
| A | HOH1004 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN B 1001 |
| Chain | Residue |
| B | HIS164 |
| B | HIS200 |
| B | ASP201 |
| B | ASP318 |
| B | HOH2007 |
| B | HOH2008 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 1002 |
| Chain | Residue |
| B | ASP201 |
| B | HOH2003 |
| B | HOH2004 |
| B | HOH2005 |
| B | HOH2006 |
| B | HOH2007 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PIL A 501 |
| Chain | Residue |
| A | THR271 |
| A | MET273 |
| A | ASP318 |
| A | LEU319 |
| A | ASN321 |
| A | THR333 |
| A | ILE336 |
| A | PHE340 |
| A | MET357 |
| A | GLN369 |
| A | PHE372 |
| A | EDO744 |
| A | HOH1005 |
| A | HOH1010 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PIL B 502 |
| Chain | Residue |
| B | TYR159 |
| B | THR271 |
| B | MET273 |
| B | ASP318 |
| B | LEU319 |
| B | ASN321 |
| B | THR333 |
| B | ILE336 |
| B | PHE340 |
| B | MET357 |
| B | GLN369 |
| B | PHE372 |
| B | HOH2005 |
| B | HOH2010 |
| B | HOH2104 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE B3P A 601 |
| Chain | Residue |
| A | LYS94 |
| A | GLU95 |
| A | GLU97 |
| A | ASP98 |
| A | HIS105 |
| A | ARG108 |
| A | HOH1165 |
| A | HOH1215 |
| B | ASP394 |
| B | ASP397 |
| B | ASP401 |
| B | HOH2079 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 701 |
| Chain | Residue |
| B | GLU366 |
| B | HOH2057 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 702 |
| Chain | Residue |
| A | LYS262 |
| A | ILE265 |
| A | ASP266 |
| A | HOH1037 |
| B | ASN224 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 704 |
| Chain | Residue |
| A | GLN210 |
| A | HOH1025 |
| A | HOH1038 |
| A | HOH1041 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 706 |
| Chain | Residue |
| B | ASP98 |
| B | GLY103 |
| B | HIS105 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 707 |
| Chain | Residue |
| A | ASN115 |
| A | ARG116 |
| A | HOH1123 |
| A | HOH1124 |
| B | ALA183 |
| B | VAL184 |
| B | HOH2165 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 742 |
| Chain | Residue |
| A | ASP151 |
| B | THR186 |
| B | ARG306 |
| B | EDO743 |
| B | HOH2043 |
| B | HOH2107 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 708 |
| Chain | Residue |
| B | SER208 |
| B | PHE340 |
| B | PRO356 |
| B | HOH2203 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 709 |
| Chain | Residue |
| B | ASN302 |
| B | TYR303 |
| B | EDO743 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 743 |
| Chain | Residue |
| A | EDO742 |
| B | EDO709 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 712 |
| Chain | Residue |
| A | PRO179 |
| A | ALA180 |
| A | HIS389 |
| A | ASP391 |
| B | ARG350 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 715 |
| Chain | Residue |
| A | ASN115 |
| A | ALA155 |
| A | ASN162 |
| A | ILE163 |
| A | HOH1086 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 716 |
| Chain | Residue |
| A | THR178 |
| A | TRP384 |
| A | ASP391 |
| A | ALA392 |
| A | ILE395 |
| A | HOH1114 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 717 |
| Chain | Residue |
| B | PHE238 |
| B | ARG257 |
| B | EDO718 |
| B | HOH2040 |
| B | HOH2148 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 718 |
| Chain | Residue |
| A | HOH1202 |
| B | ARG257 |
| B | GLN258 |
| B | ARG261 |
| B | EDO717 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 719 |
| Chain | Residue |
| A | VAL184 |
| A | LEU298 |
| A | LEU299 |
| A | LEU300 |
| A | ARG306 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 720 |
| Chain | Residue |
| A | PHE238 |
| A | ARG257 |
| A | ARG261 |
| A | HOH1138 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 722 |
| Chain | Residue |
| A | SER208 |
| A | PHE340 |
| A | PRO356 |
| A | HOH1106 |
| A | HOH1216 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 745 |
| Chain | Residue |
| A | ASP156 |
| A | VAL157 |
| A | ALA158 |
| A | GLU339 |
| A | ARG342 |
| A | HOH1040 |
| A | HOH1161 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 744 |
| Chain | Residue |
| A | MET273 |
| A | PHE372 |
| A | ILE376 |
| A | PIL501 |
| A | EDO723 |
| A | HOH1095 |
| site_id | CC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 723 |
| Chain | Residue |
| A | ILE376 |
| A | EDO744 |
| A | HOH1145 |
| site_id | DC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 724 |
| Chain | Residue |
| A | MET222 |
| A | HOH1020 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 725 |
| Chain | Residue |
| B | LYS262 |
| B | ILE265 |
| B | ASP266 |
| B | HOH2022 |
| site_id | DC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 726 |
| Chain | Residue |
| A | GLN407 |
| B | GLU150 |
| B | ASP151 |
| B | TYR153 |
| B | ALA155 |
| B | ASN162 |
| B | HOH2115 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 727 |
| Chain | Residue |
| A | GLN327 |
| A | HOH1081 |
| B | TRP405 |
| B | EDO728 |
| B | HOH2093 |
| site_id | DC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 728 |
| Chain | Residue |
| B | PRO325 |
| B | LEU326 |
| B | ASP401 |
| B | ASN402 |
| B | EDO727 |
| site_id | DC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 729 |
| Chain | Residue |
| A | ASP151 |
| A | HIS152 |
| A | TYR153 |
| A | HOH1015 |
| B | ASP301 |
| B | HOH2024 |
| B | HOH2107 |
| site_id | DC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 730 |
| Chain | Residue |
| B | ASP156 |
| B | VAL157 |
| B | ALA158 |
| B | GLU339 |
| B | ARG342 |
| B | HOH2030 |
| B | HOH2039 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 731 |
| Chain | Residue |
| A | GLY371 |
| A | ASP374 |
| A | TYR375 |
| A | HOH1116 |
| B | ASP151 |
| B | HIS152 |
| site_id | DC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 732 |
| Chain | Residue |
| A | ILE213 |
| A | ASN216 |
| A | SER217 |
| A | ALA220 |
| A | LEU221 |
| A | ASP225 |
| A | HOH1202 |
| B | ARG261 |
| site_id | EC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 733 |
| Chain | Residue |
| A | HIS154 |
| A | ASP203 |
| A | LEU219 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 734 |
| Chain | Residue |
| B | ASN115 |
| B | ALA155 |
| B | ASN162 |
| B | ILE163 |
| site_id | EC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 736 |
| Chain | Residue |
| A | GLU338 |
| A | PHE341 |
| A | ASP345 |
| site_id | EC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 739 |
| Chain | Residue |
| A | GLN327 |
| A | ARG330 |
| A | GLN331 |
| A | HOH1155 |
| B | HOH2054 |
| site_id | EC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 740 |
| Chain | Residue |
| B | LYS367 |
| B | VAL370 |
| B | GLN407 |
| B | ILE410 |
| B | HOH2074 |
| site_id | EC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 741 |
| Chain | Residue |
| B | GLN210 |
| B | HOH2015 |
| B | HOH2033 |
| B | HOH2034 |
| B | HOH2070 |
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 | HIS200-PHE211 |
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 | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17582435","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TBB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XON","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PW3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17582435","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TBB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XON","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PW3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
