6IM6
Crystal structure of PDE4D complexed with a novel inhibitor
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 501 |
| Chain | Residue |
| A | HIS164 |
| A | HIS200 |
| A | ASP201 |
| A | ASP318 |
| A | HOH632 |
| A | HOH752 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 502 |
| Chain | Residue |
| A | HOH673 |
| A | HOH694 |
| A | HOH762 |
| A | ASP201 |
| A | HOH632 |
| A | HOH664 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 503 |
| Chain | Residue |
| A | HIS154 |
| A | ASP203 |
| A | HOH646 |
| A | HOH682 |
| A | HOH726 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 504 |
| Chain | Residue |
| A | ASP151 |
| A | TYR153 |
| A | HOH724 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue AH3 A 505 |
| Chain | Residue |
| A | HIS160 |
| A | ASN321 |
| A | THR333 |
| A | ILE336 |
| A | MET357 |
| A | GLN369 |
| A | PHE372 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 506 |
| Chain | Residue |
| A | SER208 |
| A | PRO356 |
| A | CYS358 |
| A | HOH649 |
| A | HOH670 |
| A | HOH750 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | ARG330 |
| A | GLU366 |
| A | TRP405 |
| A | TYR406 |
| A | HOH618 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 508 |
| Chain | Residue |
| A | ASP394 |
| A | ILE395 |
| A | EDO509 |
| A | HOH616 |
| A | HOH742 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 509 |
| Chain | Residue |
| A | THR178 |
| A | VAL388 |
| A | ASP391 |
| A | ALA392 |
| A | EDO508 |
| A | HOH602 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 510 |
| Chain | Residue |
| A | LYS262 |
| A | ILE265 |
| A | ASP266 |
| A | HOH630 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 511 |
| Chain | Residue |
| A | ASP266 |
| A | LEU269 |
| A | LYS275 |
| A | GLN311 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 512 |
| Chain | Residue |
| A | ASN115 |
| A | ALA155 |
| A | ASN161 |
| A | ASN162 |
| A | ARG335 |
| A | HOH712 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 513 |
| Chain | Residue |
| A | PHE107 |
| A | GLU111 |
| A | ILE163 |
| A | HOH712 |
| A | HOH748 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 514 |
| Chain | Residue |
| A | HIS105 |
| A | PRO325 |
| A | GLN327 |
| A | HOH606 |
| A | HOH639 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 515 |
| Chain | Residue |
| A | THR134 |
| A | LYS136 |
| A | ASN251 |
| A | LEU252 |
| A | GLN256 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue ZN B 501 |
| Chain | Residue |
| B | HIS164 |
| B | HIS200 |
| B | ASP201 |
| B | ASP318 |
| B | HOH604 |
| B | HOH678 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 502 |
| Chain | Residue |
| B | ASP201 |
| B | HOH604 |
| B | HOH621 |
| B | HOH637 |
| B | HOH661 |
| B | HOH696 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue AH3 B 503 |
| Chain | Residue |
| B | HIS160 |
| B | ASN321 |
| B | THR333 |
| B | ILE336 |
| B | MET357 |
| B | GLN369 |
| B | PHE372 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 504 |
| Chain | Residue |
| B | HOH636 |
| B | LYS262 |
| B | ASP266 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 505 |
| Chain | Residue |
| B | SER208 |
| B | SER355 |
| B | PRO356 |
| B | CYS358 |
| B | HOH623 |
| B | HOH647 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 506 |
| Chain | Residue |
| B | LEU299 |
| B | LEU300 |
| B | ASP301 |
| B | ASN302 |
| B | ASP305 |
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 |
