Structure of PDB 4ajg Chain A Binding Site BS02

Receptor Information
>4ajg Chain A (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRS
CGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTL
FTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFS
QTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEE
MYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFW
AEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPP
TEPLLKACRDNLSQWEKVIRG
Ligand information
Ligand IDF07
InChIInChI=1S/C10H6N2S/c1-3-11-6-8-9(1)12-5-7-2-4-13-10(7)8/h1-6H
InChIKeyGLMNZDZLAAHQOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352s1ccc2cnc3ccncc3c12
OpenEye OEToolkits 1.6.1c1cncc2c1ncc3c2scc3
FormulaC10 H6 N2 S
NameTHIENO[3,2-C][1,6]NAPHTHYRIDINE
ChEMBL
DrugBank
ZINCZINC000000480997
PDB chain4ajg Chain A Residue 1771 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ajg Identification and Structural Characterization of Pde10 Fragment Inhibitors
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V678 I692 F696 Q726 F729
Binding residue
(residue number reindexed from 1)		V231 I245 F249 Q279 F282
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:4ajg, PDBe:4ajg, PDBj:4ajg
PDBsum4ajg
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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