Structure of PDB 5sjk Chain A Binding Site BS02

Receptor Information
>5sjk 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 IDK40
InChIInChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)
InChIKeyVJUGVVOGVWAGRV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12
CACTVS 3.385Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12
OpenEye OEToolkits 2.0.7c1cc(c2c(c1Cl)c3c([nH]2)C(=O)NCC3)Cl
FormulaC11 H8 Cl2 N2 O
Name5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
ChEMBLCHEMBL1345945
DrugBank
ZINCZINC000000077281
PDB chain5sjk 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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PDB5sjk Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.24 Å
Binding residue
(original residue number in PDB)		V678 F696 Q726 F729
Binding residue
(residue number reindexed from 1)		V221 F239 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:5sjk, PDBe:5sjk, PDBj:5sjk
PDBsum5sjk
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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