Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | ||||
|---|---|---|---|---|---|
| Ligand Name | Zardaverine | Ligand Info | |||
| Canonical SMILES | COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)OC(F)F | ||||
| InChI | 1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17) | ||||
| InChIKey | HJMQDJPMQIHLPB-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5723 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1XOR Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine | ||||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [1] |
| PDB Sequence |
QEDVLAKELE
97 DVNKWGLHVF107 RIAELSGNRP117 LTVIMHTIFQ127 ERDLLKTFKI137 PVDTLITYLM 147 TLEDHYHADV157 AYHNNIHAAD167 VVQSTHVLLS177 TPALEAVFTD187 LEILAAIFAS 197 AIHDVDHPGV207 SNQFLINTNS217 ELALMYNDSS227 VLENHHLAVG237 FKLLQEENCD 247 IFQNLTKKQR257 QSLRKMVIDI267 VLATDMSKHM277 NLLADLKTMV287 ETKKVTVLLL 300 DNYSDRIQVL310 QNMVHCADLS320 NPTKPLQLYR330 QWTDRIMEEF340 FRQGDRERER 350 GMEISPMCDK360 HNASVEKSQV370 GFIDYIVHPL380 WETWADLVHP390 DAQDILDTLE 400 DNREWYQSTI410 P
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| PDB ID: 1MKD crystal structure of PDE4D catalytic domain and zardaverine complex | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [2] |
| PDB Sequence |
TEQEDVLAKE
192 LEDVNKWGLH202 VFRIAELSGN212 RPLTVIMHTI222 FQERDLLKTF232 KIPVDTLITY 242 LMTLEDHYHA252 DVAYHNNIHA262 ADVVQSTHVL272 LSTPALEAVF282 TDLEILAAIF 292 ASAIHDVDHP302 GVSNQFLINT312 NSELALMYND322 SSVLENHHLA332 VGFKLLQEEN 342 CDIFQNLTKK352 QRQSLRKMVI362 DIVLATDMSK372 HMNLLADLKT382 MVETKKVTSS 392 GVLLLDNYSD402 RIQVLQNMVH412 CADLSNPTKP422 LQLYRQWTDR432 IMEEFFPQGD 442 RERERGMEIS452 PMCDKHNASV462 EKSQVGFIDY472 IVHPLWETWA482 DLVHPDAQDI 492 LDTLEDNREW502 YQSTIPQS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for the activity of drugs that inhibit phosphodiesterases. Structure. 2004 Dec;12(12):2233-47. | ||||
| REF 2 | Crystal structure of phosphodiesterase 4D and inhibitor complex(1). FEBS Lett. 2002 Oct 23;530(1-3):53-8. | ||||
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