Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84133 | Target Info | |||
| Target Name | Phosphodiesterase 10A (PDE10) | ||||
| Synonyms | cAMP and cAMPinhibited cGMP 3',5'cyclic phosphodiesterase 10A; cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDE10A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [3H]cAMP | Ligand Info | |||
| Canonical SMILES | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O | ||||
| InChI | 1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | IVOMOUWHDPKRLL-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6076 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2OUR crystal structure of PDE10A2 mutant D674A in complex with cAMP | ||||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [1] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACALC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
|
||||||
| PDB ID: 2OUY crystal structure of pde10a2 mutant D564A in complex with cAMP. | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHNLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETATWIS776
|
|||||
|
|
||||||
| PDB ID: 2ZMF Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
QTELNDFLLD
255 VSKTYFDNIV265 AIDSLLEHII276 YAKNLVNADR286 CALFQVDHKN296 KELYSDLFDI 306 GEEKEGKPVF316 KKTKEIRFSI326 EKGIAGQVAR336 TGEVLNIPDA346 YADPRFNREV 356 DLYTGYTTRN366 ILCPIVSRGS377 VIGVVQVNKI388 SGSAFSKTDE398 NNFKFAVFCA 409 LALHCANYHR420 IR
|
|||||
|
|
ARG286
2.878
CYS287
2.972
ALA288
3.425
PHE290
4.087
PHE304
3.373
ASP305
2.807
PHE324
3.606
GLY329
3.241
ILE330
2.818
ALA331
2.894
ARG351
4.451
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insight into substrate specificity of phosphodiesterase 10. Proc Natl Acad Sci U S A. 2007 Apr 3;104(14):5782-7. | ||||
| REF 2 | Crystal structure of the GAF-B domain from human phosphodiesterase 10A complexed with its ligand, cAMP. J Biol Chem. 2008 Jul 11;283(28):19657-64. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.