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PDBsum entry 5set
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Hydrolase/hydrolase inhibitor
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PDB id
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5set
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PDB id:
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| Name: |
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Hydrolase/hydrolase inhibitor
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Title:
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Crystal structure of human phosphodiesterase 10 in complex with c1(cc(nn1c)c2ccccn2)nc(=o)c3c(ccc(n3)c4cc4)nc5cncnc5, micromolar ic50=>1.66968
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Structure:
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Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10a. Chain: a. Engineered: yes
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Source:
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Homo sapiens. Human. Organism_taxid: 9606. Gene: pde10a. Expressed in: escherichia coli. Expression_system_taxid: 469008.
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Resolution:
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2.40Å
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R-factor:
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0.185
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R-free:
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0.229
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Authors:
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C.Joseph,K.Groebke-Zbinden,J.Benz,D.Schlatter,M.G.Rudolph
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Key ref:
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A.Tosstorff
et al.
(2022).
A high quality, Industrial data set for binding affin prediction: performance comparison in different early discovery scenarios..
J comput aided mol des,
36,
753.
PubMed id:
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Date:
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21-Jan-22
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Release date:
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12-Oct-22
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PROCHECK
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Headers
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References
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Q9Y233
(PDE10_HUMAN) -
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A from Homo sapiens
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Seq:
Struc:
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1055 a.a.
314 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class:
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E.C.3.1.4.17
- 3',5'-cyclic-nucleotide phosphodiesterase.
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Reaction:
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a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'-phosphate + H+
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nucleoside 3',5'-cyclic phosphate
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+
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H2O
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=
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nucleoside 5'-phosphate
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+
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H(+)
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Links
