Structure of PDB 5sg2 Chain A Binding Site BS02

Receptor Information
>5sg2 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 IDGIQ
InChIInChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChIKeyARZWATDYIYAUTA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n2cccc3c1nc(n(c1ccc23)C)N
CACTVS 3.341Cn1c(N)nc2c1ccc3ncccc23
OpenEye OEToolkits 1.5.0Cn1c2ccc3c(c2nc1N)cccn3
FormulaC11 H10 N4
Name3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE;
2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE
ChEMBLCHEMBL1233049
DrugBank
ZINCZINC000013282307
PDB chain5sg2 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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PDB5sg2 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.15 Å
Binding residue
(original residue number in PDB)		V678 I692 F696 M713 F729
Binding residue
(residue number reindexed from 1)		V221 I235 F239 M256 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:5sg2, PDBe:5sg2, PDBj:5sg2
PDBsum5sg2
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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