Structure of PDB 5sjq Chain C Binding Site BS02

Receptor Information
>5sjq 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 IDK6F
InChIInChI=1S/C10H9ClN2/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,1-2H3
InChIKeyCNNSWSHYGANWBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1nc2ccc(Cl)cc2nc1C
ACDLabs 12.01Clc1cc2nc(C)c(C)nc2cc1
OpenEye OEToolkits 2.0.7Cc1c(nc2cc(ccc2n1)Cl)C
FormulaC10 H9 Cl N2
Name6-chloro-2,3-dimethylquinoxaline
ChEMBLCHEMBL1707141
DrugBank
ZINCZINC000003126403
PDB chain5sjq 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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PDB5sjq Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.12 Å
Binding residue
(original residue number in PDB)		S677 V678 Q726 F729
Binding residue
(residue number reindexed from 1)		S220 V221 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:5sjq, PDBe:5sjq, PDBj:5sjq
PDBsum5sjq
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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