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PDB ID: 5ZNL

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
MG Magnesium ion PoSSuM
9G6 N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine PoSSuM
Non-standard Residues
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Structure summary

Code : 5ZNL   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of PDE10A catalytic domain complexed with LHB-6
Release Data : 2019-02-20
Compound :
mol_id molecule chains
1 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A A,B
ec: 3.1.4.17,3.1.4.35
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21  (taxid:511693)
gene: PDE10A
expression_system_strain: BL21
expression_system_vector_type: Plasmid
Authors : Li, Z., Huang, Y., Zhan, C.G., Luo, H.B.
Keywords : PDE10A inhibitor, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10.

Li, Z.,Huang, Y.,Wu, Y.  et al.
(2019)  J. Med. Chem.  62 : 2099 - 2111

PubMed: 30689375
DOI: 10.1021/acs.jmedchem.8b01763

Reaction

Chain : A, B
UniProt : Q9Y233 (PDE10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:16330539, PubMed:17389385, PubMed:27058447
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3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
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