Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T02001 | Target Info | |||
Target Name | Phosphodiesterase 4D (PDE4D) | ||||
Synonyms | cAMP-specific 3',5'-cyclic phosphodiesterase 4D; PDE43; DPDE3 | ||||
Target Type | Successful Target | ||||
Gene Name | PDE4D | ||||
Biochemical Class | Phosphoric diester hydrolase | ||||
UniProt ID |
Ligand General Information | Top | ||||
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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 | |||||
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PDB ID: 1PTW The Crystal Structure of AMP-Bound PDE4 Suggests a Mechanism for Phosphodiesterase Catalysis | ||||||
Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
PDB Sequence |
IPRFGVKTEQ
88 EDVLAKELED98 VNKWGLHVFR108 IAELSGNRPL118 TVIMHTIFQE128 RDLLKTFKIP 138 VDTLITYLMT148 LEDHYHADVA158 YHNNIHAADV168 VQSTHVLLST178 PALEAVFTDL 188 EILAAIFASA198 IHDVDHPGVS208 NQFLINTNSE218 LALMYNDSSV228 LENHHLAVGF 238 KLLQEENCDI248 FQNLTKKQRQ258 SLRKMVIDIV268 LATDMSKHMN278 LLADLKTMVE 288 TKKVTSSGVL298 LLDNYSDRIQ308 VLQNMVHCAD318 LSNPTKPLQL328 YRQWTDRIME 338 EFFRQGDRER348 ERGMEISPMC358 DKHNASVEKS368 QVGFIDYIVH378 PLWETWADLV 388 HPDAQDILDT398 LEDNREWYQS408 TIPQ
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PDB ID: 1TB7 Catalytic Domain Of Human Phosphodiesterase 4D In Complex With AMP | ||||||
Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [2] |
PDB Sequence |
EQEDVLAKEL
96 EDVNKWGLHV106 FRIAELSGNR116 PLTVIMHTIF126 QERDLLKTFK136 IPVDTLITYL 146 MTLEDHYHAD156 VAYHNNIHAA166 DVVQSTHVLL176 STPALEAVFT186 DLEILAAIFA 196 SAIHDVDHPG206 VSNQFLINTN216 SELALMYNDS226 SVLENHHLAV236 GFKLLQEENC 246 DIFQNLTKKQ256 RQSLRKMVID266 IVLATDMSKH276 MNLLADLKTM286 VETKKVVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410 P
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TYR159
3.889
HIS160
2.346
HIS164
3.235
HIS200
4.387
ASP201
3.139
HIS204
4.092
THR271
4.646
MET273
3.780
ASP318
3.099
LEU319
3.388
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References | Top | ||||
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REF 1 | The crystal structure of AMP-bound PDE4 suggests a mechanism for phosphodiesterase catalysis. Biochemistry. 2003 Nov 18;42(45):13220-6. | ||||
REF 2 | A glutamine switch mechanism for nucleotide selectivity by phosphodiesterases. Mol Cell. 2004 Jul 23;15(2):279-86. |
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