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6K9U

Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue ZN A 801
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AMG802
AHOH906

site_idAC2
Number of Residues4
Detailsbinding site for residue MG A 802
ChainResidue
AHOH906
AHIS515
AASP554
AZN801

site_idAC3
Number of Residues12
Detailsbinding site for residue D4L A 803
ChainResidue
ATYR514
AHIS647
AGLN649
ALEU665
ASER667
ATYR683
APRO702
AMET703
ALYS708
AGLY715
AGLN716
APHE719

site_idAC4
Number of Residues7
Detailsbinding site for residue SO4 A 804
ChainResidue
AARG457
AASP461
APHE467
AASP468
ALYS695
ALEU696
AHOH901

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGfsNsY
ChainResidueDetails
AHIS553-TYR564

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083
ChainResidueDetails
AHIS515

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q9Y233
ChainResidueDetails
AHIS515
AGLN716

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:17228859
ChainResidueDetails
AHIS519
AHIS553
AASP554
AASP664

219140

PDB entries from 2024-05-01

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