Structure of PDB 5skb Chain C Binding Site BS02

Receptor Information
>5skb Chain C (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 IDKDX
InChIInChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
InChIKeyLQIHYZDCTRTCLG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cccc2[nH]c3C(=O)NC=Nc3c12
OpenEye OEToolkits 2.0.7COc1cccc2c1c3c([nH]2)C(=O)NC=N3
ACDLabs 12.01COc1cccc2[NH]c3c(N=CNC3=O)c21
FormulaC11 H9 N3 O2
Name9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
ChEMBLCHEMBL1592850
DrugBank
ZINCZINC000017198487
PDB chain5skb Chain C Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5skb Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S677 I692 M713 Q726 F729
Binding residue
(residue number reindexed from 1)		S220 I235 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:5skb, PDBe:5skb, PDBj:5skb
PDBsum5skb
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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