Brand  (β version)

PDB ID: 4LM3

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Ligands
Code Name Style Show Link
9ZE 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone PoSSuM
NI Nickel (II) ion PoSSuM
EDO 1,2-ethanediol PoSSuM
Non-standard Residues
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Structure summary

Code : 4LM3   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of PDE10A2 with fragment ZT464
Release Data : 2014-02-26
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
fragment: CATALYTIC DOMAIN, UNP residues 439-779
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:511693)
gene: PDE10A
expression_system_strain: BL21
Authors : Sridhar, V., Badger, J., Logan, C., Chie-Leon, B., Nienaber, V.
Keywords : fragment screening, hydrolase, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.49 Å )
Citation :

Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.

Recht, M.I.,Sridhar, V.,Badger, J.  et al.
(2014)  J Biomol Screen  19 : 497 - 507

PubMed: 24375910
DOI: 10.1177/1087057113516493

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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Cofactor: Evidence: Note:
a divalent metal cation ECO:0000269 | PubMed:17389385
Binds 2 divalent metal cations per subunit. Site 1 may preferentially bind zinc ions, while site 2 has a preference for magnesium and/or manganese ions.