Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10265 | Target Info | |||
| Target Name | Phosphodiesterase 4B (PDE4B) | ||||
| Synonyms | cAMP-specific 3',5'-cyclic phosphodiesterase 4B; Type 4B cAMP phosphodiesterase; Type 4 cyclic adenosine monophosphate phosphodiesterase (type 4 PDE); PDE32; DPDE4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDE4B | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine monophosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | UDMBCSSLTHHNCD-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6083 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1TB5 Catalytic Domain Of Human Phosphodiesterase 4B In Complex With AMP | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
EDHLAKELED
172 LNKWGLNIFN182 VAGYSHNRPL192 TCIMYAIFQE202 RDLLKTFRIS212 SDTFITYMMT 222 LEDHYHSDVA232 YHNSLHAADV242 AQSTHVLLST252 PALDAVFTDL262 EILAAIFAAA 272 IHDVDHPGVS282 NQFLINTNSE292 LALMYNDESV302 LENHHLAVGF312 KLLQEEHCDI 322 FMNLTKKQRQ332 TLRKMVIDMV342 LATDMSKHMS352 LLADLKTMVE362 TKKVTSSGVL 372 LLDNYTDRIQ382 VLRNMVHCAD392 LSNPTKSLEL402 YRQWTDRIME412 EFFQQGDKER 422 ERGMEISPMC432 DKHTASVEKS442 QVGFIDYIVH452 PLWETWADLV462 QPDAQDILDT 472 LEDNRNWYQS482 MIP
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TYR233
3.916
HIS234
2.364
HIS238
3.317
HIS274
4.641
ASP275
3.038
HIS278
4.086
GLU304
4.995
THR345
4.349
MET347
3.772
ASP392
3.265
|
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| PDB ID: 1ROR CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH AMP | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
SISRFGVNTE
161 NEDHLAKELE171 DLNKWGLNIF181 NVAGYSHNRP191 LTCIMYAIFQ201 ERDLLKTFRI 211 SSDTFITYMM221 TLEDHYHSDV231 AYHNSLHAAD241 VAQSTHVLLS251 TPALDAVFTD 261 LEILAAIFAA271 AIHDVDHPGV281 SNQFLINTNS291 ELALMYNDES301 VLENHHLAVG 311 FKLLQEEHCD321 IFMNLTKKQR331 QTLRKMVIDM341 VLATDMSKHM351 SLLADLKTMV 361 ETKKVTSSGV371 LLLDNYTDRI381 QVLRNMVHCA391 DLSNPTKSLE401 LYRQWTDRIM 411 EEFFQQGDKE421 RERGMEISPM431 CDKHTASVEK441 SQVGFIDYIV451 HPLWETWADL 461 VQPDAQDILD471 TLEDNRNWYQ481 SMIPQAPA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A glutamine switch mechanism for nucleotide selectivity by phosphodiesterases. Mol Cell. 2004 Jul 23;15(2):279-86. | ||||
| REF 2 | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram. J Mol Biol. 2004 Mar 19;337(2):355-65. | ||||
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