Structure of PDB 5sk7 Chain D Binding Site BS02

Receptor Information
>5sk7 Chain D (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKL
CRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLI
ACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGH
NIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNN
QSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGI
QPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDN
LSQWEKVIRG
Ligand information
Ligand IDKCF
InChIInChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3
InChIKeyJATIVHGFJAULAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)c1nn2ccc(Br)cc2n1
OpenEye OEToolkits 2.0.7CN(C)c1nc2cc(ccn2n1)Br
ACDLabs 12.01CN(C)c1nc2cc(Br)ccn2n1
FormulaC8 H9 Br N4
Name4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine
ChEMBL
DrugBank
ZINC
PDB chain5sk7 Chain D 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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PDB5sk7 Crystal Structure of a human phosphodiesterase 10 complex
Resolution2.29 Å
Binding residue
(original residue number in PDB)		L675 S677 I692 F696 M713 F729
Binding residue
(residue number reindexed from 1)		L217 S219 I234 F238 M255 F271
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5sk7, PDBe:5sk7, PDBj:5sk7
PDBsum5sk7
PubMed
UniProtQ9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)

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