Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17852 | Target Info | |||
| Target Name | Phosphodiesterase 9 (PDE9) | ||||
| Synonyms | High affinity cGMPspecific 3',5'cyclic phosphodiesterase 9A; High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDE9A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cyclic Guanosine Monophosphate | Ligand Info | |||
| Canonical SMILES | C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O | ||||
| InChI | 1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | ZOOGRGPOEVQQDX-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398570 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3DYN human phosphodiestrase 9 in complex with cGMP (Zn inhibited) | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
GSHMTYPKYL
187 LSPETIEALR197 KPTFDVWLWE207 PNEMLSCLEH217 MYHDLGLVRD227 FSINPVTLRR 237 WLFCVHDNYR247 NNPFHNFRHC257 FCVAQMMYSM267 VWLCSLQEKF277 SQTDILILMT 287 AAICHDLDHP297 GYNNTYQINA307 RTELAVRYND317 ISPLENHHCA327 VAFQILAEPE 337 CNIFSNIPPD347 GFKQIRQGMI357 TLILATDMAR367 HAEIMDSFKE377 KMENFDYSNE 387 EHMTLLKMIL397 IKCCDISNEV407 RPMEVAEPWV417 DCLLEEYFMQ427 SDREKSEGLP 437 VAPFMDRDKV447 TKATAQIGFI457 KFVLIPMFET467 VTKLFPMVEE477 IMLQPLWESR 487 DRYEELKRID497 DAMKELQK
|
|||||
|
|
||||||
| PDB ID: 3DYQ human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
GSHMTYPKYL
187 LSPETIEALR197 KPTFDVWLWE207 PNEMLSCLEH217 MYHDLGLVRD227 FSINPVTLRR 237 WLFCVHDNYR247 NNPFHNFRHC257 FCVAQMMYSM267 VWLCSLQEKF277 SQTDILILMT 287 AAICHDLDHP297 GYNNTYQINA307 RTELAVRYND317 ISPLENHHCA327 VAFQILAEPE 337 CNIFSNIPPD347 GFKQIRQGMI357 TLILATDMAR367 HAEIMDSFKE377 KMENFDYSNE 387 EHMTLLKMIL397 IKCCDISNEV407 RPMEVAEPWV417 DCLLEEYFMQ427 SDREKSEGLP 437 VAPFMDRDKV447 TKATAQIGFI457 KFVLIPMFET467 VTKLFPMVEE477 IMLQPLWESR 487 DRYEELKRID497 DAMKELQK
|
|||||
|
|
||||||
| PDB ID: 3DYL human phosphdiesterase 9 substrate complex (ES complex) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
GSHMTYPKYL
187 LSPETIEALR197 KPTFDVWLWE207 PNEMLSCLEH217 MYHDLGLVRD227 FSINPVTLRR 237 WLFCVHDNYR247 NNPFHNFRHC257 FCVAQMMYSM267 VWLCSLQEKF277 SQTDILILMT 287 AAICHDLDHP297 GYNNTYQINA307 RTELAVRYND317 ISPLENHHCA327 VAFQILAEPE 337 CNIFSNIPPD347 GFKQIRQGMI357 TLILATDMAR367 HAEIMDSFKE377 KMENFDYSNE 387 EHMTLLKMIL397 IKCCDISNEV407 RPMEVAEPWV417 DCLLEEYFMQ427 SDREKSEGLP 437 VAPFMDRDKV447 TKATAQIGFI457 KFVLIPMFET467 VTKLFPMVEE477 IMLQPLWESR 487 DRYEELKRID497 DAMKELQK
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc Natl Acad Sci U S A. 2008 Sep 9;105(36):13309-14. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.