5K1I
PDE4 crystal structure in complex with small molecule 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 |
| C | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| C | 0007165 | biological_process | signal transduction |
| C | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| D | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| D | 0007165 | biological_process | signal transduction |
| D | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| E | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| E | 0007165 | biological_process | signal transduction |
| E | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| F | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| F | 0007165 | biological_process | signal transduction |
| F | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| G | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| G | 0007165 | biological_process | signal transduction |
| G | 0008081 | molecular_function | phosphoric diester hydrolase activity |
| H | 0004114 | molecular_function | 3',5'-cyclic-nucleotide phosphodiesterase activity |
| H | 0007165 | biological_process | signal transduction |
| H | 0008081 | molecular_function | phosphoric diester hydrolase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue 6PT A 1001 |
| Chain | Residue |
| A | TYR159 |
| A | GLN369 |
| A | PHE372 |
| A | MET273 |
| A | LEU319 |
| A | ASN321 |
| A | TRP332 |
| A | ILE336 |
| A | MET337 |
| A | PHE340 |
| A | SER368 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 1002 |
| Chain | Residue |
| A | HIS164 |
| A | HIS200 |
| A | ASP201 |
| A | ASP318 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue MG A 1003 |
| Chain | Residue |
| A | HIS200 |
| A | ASP201 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | binding site for residue 6PT B 1001 |
| Chain | Residue |
| B | TYR159 |
| B | MET273 |
| B | LEU319 |
| B | ASN321 |
| B | TRP332 |
| B | THR333 |
| B | ILE336 |
| B | MET337 |
| B | PHE340 |
| B | MET357 |
| B | GLN369 |
| B | PHE372 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 1002 |
| Chain | Residue |
| B | HIS164 |
| B | HIS200 |
| B | ASP201 |
| B | ASP318 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue MG B 1003 |
| Chain | Residue |
| B | ASP201 |
| B | HIS233 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | binding site for residue 6PT C 1001 |
| Chain | Residue |
| C | TYR159 |
| C | MET273 |
| C | LEU319 |
| C | ASN321 |
| C | ILE336 |
| C | MET337 |
| C | PHE340 |
| C | MET357 |
| C | GLN369 |
| C | PHE372 |
| C | HOH1102 |
| C | HOH1106 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 1002 |
| Chain | Residue |
| C | HIS164 |
| C | HIS200 |
| C | ASP201 |
| C | ASP318 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue MG C 1003 |
| Chain | Residue |
| C | ASP201 |
| site_id | AD1 |
| Number of Residues | 10 |
| Details | binding site for residue 6PT D 1001 |
| Chain | Residue |
| D | TYR159 |
| D | MET273 |
| D | ASN321 |
| D | TRP332 |
| D | ILE336 |
| D | MET337 |
| D | PHE340 |
| D | GLN369 |
| D | PHE372 |
| D | HOH1108 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 1002 |
| Chain | Residue |
| D | HIS164 |
| D | HIS200 |
| D | ASP201 |
| D | ASP318 |
| site_id | AD3 |
| Number of Residues | 1 |
| Details | binding site for residue MG D 1003 |
| Chain | Residue |
| D | ASP201 |
| site_id | AD4 |
| Number of Residues | 10 |
| Details | binding site for residue 6PT E 1001 |
| Chain | Residue |
| E | TYR159 |
| E | MET273 |
| E | LEU319 |
| E | ASN321 |
| E | ILE336 |
| E | MET337 |
| E | PHE340 |
| E | SER368 |
| E | GLN369 |
| E | PHE372 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue ZN E 1002 |
| Chain | Residue |
| E | HIS164 |
| E | HIS200 |
| E | ASP201 |
| E | ASP318 |
| E | MG1003 |
| site_id | AD6 |
| Number of Residues | 2 |
| Details | binding site for residue MG E 1003 |
| Chain | Residue |
| E | ASP201 |
| E | ZN1002 |
| site_id | AD7 |
| Number of Residues | 11 |
| Details | binding site for residue 6PT F 1001 |
| Chain | Residue |
| F | TYR159 |
| F | MET273 |
| F | LEU319 |
| F | ASN321 |
| F | TRP332 |
| F | ILE336 |
| F | PHE340 |
| F | MET357 |
| F | SER368 |
| F | GLN369 |
| F | PHE372 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN F 1002 |
| Chain | Residue |
| F | HIS164 |
| F | HIS200 |
| F | ASP201 |
| F | ASP318 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue MG F 1003 |
| Chain | Residue |
| F | ASP201 |
| site_id | AE1 |
| Number of Residues | 10 |
| Details | binding site for residue 6PT G 1001 |
| Chain | Residue |
| G | TYR159 |
| G | MET273 |
| G | LEU319 |
| G | ASN321 |
| G | TRP332 |
| G | ILE336 |
| G | MET337 |
| G | PHE340 |
| G | GLN369 |
| G | PHE372 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN G 1002 |
| Chain | Residue |
| G | HIS164 |
| G | HIS200 |
| G | ASP201 |
| G | ASP318 |
| site_id | AE3 |
| Number of Residues | 1 |
| Details | binding site for residue MG G 1003 |
| Chain | Residue |
| G | ASP201 |
| site_id | AE4 |
| Number of Residues | 12 |
| Details | binding site for residue 6PT H 1001 |
| Chain | Residue |
| H | TYR159 |
| H | MET273 |
| H | LEU319 |
| H | ASN321 |
| H | THR333 |
| H | MET337 |
| H | PHE340 |
| H | MET357 |
| H | GLN369 |
| H | PHE372 |
| H | HOH1101 |
| H | HOH1105 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN H 1002 |
| Chain | Residue |
| H | HIS164 |
| H | HIS200 |
| H | ASP201 |
| H | ASP318 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue MG H 1003 |
| Chain | Residue |
| H | ASP201 |
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 | 8 |
| Details | ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q07343 |
| Chain | Residue | Details |
| A | HIS160 | |
| B | HIS160 | |
| C | HIS160 | |
| D | HIS160 | |
| E | HIS160 | |
| F | HIS160 | |
| G | HIS160 | |
| H | HIS160 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7 |
| Chain | Residue | Details |
| A | HIS160 | |
| D | HIS160 | |
| D | ASN321 | |
| D | GLN369 | |
| E | HIS160 | |
| E | ASN321 | |
| E | GLN369 | |
| F | HIS160 | |
| F | ASN321 | |
| F | GLN369 | |
| G | HIS160 | |
| A | ASN321 | |
| G | ASN321 | |
| G | GLN369 | |
| H | HIS160 | |
| H | ASN321 | |
| H | GLN369 | |
| A | GLN369 | |
| B | HIS160 | |
| B | ASN321 | |
| B | GLN369 | |
| C | HIS160 | |
| C | ASN321 | |
| C | GLN369 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:2PW3 |
| Chain | Residue | Details |
| A | HIS164 | |
| B | HIS164 | |
| C | HIS164 | |
| D | HIS164 | |
| E | HIS164 | |
| F | HIS164 | |
| G | HIS164 | |
| H | HIS164 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:1XOR, ECO:0007744|PDB:2PW3 |
| Chain | Residue | Details |
| A | HIS200 | |
| E | ASP318 | |
| F | HIS200 | |
| F | ASP318 | |
| G | HIS200 | |
| G | ASP318 | |
| H | HIS200 | |
| H | ASP318 | |
| A | ASP318 | |
| B | HIS200 | |
| B | ASP318 | |
| C | HIS200 | |
| C | ASP318 | |
| D | HIS200 | |
| D | ASP318 | |
| E | HIS200 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0007744|PDB:1PTW |
| Chain | Residue | Details |
| A | ASP201 | |
| E | PHE372 | |
| F | ASP201 | |
| F | PHE372 | |
| G | ASP201 | |
| G | PHE372 | |
| H | ASP201 | |
| H | PHE372 | |
| A | PHE372 | |
| B | ASP201 | |
| B | PHE372 | |
| C | ASP201 | |
| C | PHE372 | |
| D | ASP201 | |
| D | PHE372 | |
| E | ASP201 |
