Structure of PDB 5sgb Chain A Binding Site BS02

Receptor Information

>5sgb Chain A (length=313) Species: 9606 (Homo sapiens)

GLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEK
LCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLL
IACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEG
HNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLN
NQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLG
IQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRD
NLSQWEKVIRGEE

Ligand information

• Ligand ID: IWG
• InChI: InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H
• InChIKey: MXBFWTAMROYSLZ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: Clc1ccc(Oc2cnns2)c2ccccc21
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)c(ccc2Cl)Oc3cnns3
  CACTVS 3.385: Clc1ccc(Oc2snnc2)c3ccccc13
• Formula: C12 H7 Cl N2 O S
• Name: 5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole
• ZINC: ZINC000001388232
• PDB chain: 5sgb Chain A Residue 803

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5sgb Crystal Structure of a human phosphodiesterase 10 complex
• Resolution: 2.39 Å
• Binding residue (original residue number in PDB): H525 I692 F696 Q726 F729
• Binding residue (residue number reindexed from 1): H68 I235 F239 Q269 F272
• Annotation score: 1

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

External links

• PDB: RCSB:5sgb, PDBe:5sgb, PDBj:5sgb
• PDBsum: 5sgb
• UniProt: Q9Y233|PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Gene Name=PDE10A)