Structure of PDB 5siv Chain A Binding Site BS02

Receptor Information
>5siv Chain A (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEK
LCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLL
IACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEG
HNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLN
NQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLG
IQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRD
NLSQWEKVIRGEE
Ligand information
Ligand IDJTL
InChIInChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
InChIKeyZZCPENMOMKGBMP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NCc1sccc1)c2ccc3nccnc3c2
ACDLabs 12.01O=C(NCc1cccs1)c1cc2nccnc2cc1
OpenEye OEToolkits 2.0.7c1cc(sc1)CNC(=O)c2ccc3c(c2)nccn3
FormulaC14 H11 N3 O S
NameN-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
ChEMBLCHEMBL4580935
DrugBank
ZINCZINC000000156495
PDB chain5siv Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5siv Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L635 F639 I692 F696 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		L178 F182 I235 F239 M256 Q269 F272
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:5siv, PDBe:5siv, PDBj:5siv
PDBsum5siv
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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