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4AJG

Identification and structural characterization of PDE10 fragment inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
D0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
D0007165biological_processsignal transduction
D0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN D 1770
ChainResidue
DHIS529
DHIS563
DASP564
DASP674
DHOH2019
DHOH2024

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 1769
ChainResidue
AASP674
AHOH2019
AHIS529
AHIS563
AASP564

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG D 1771
ChainResidue
DASP564
DHOH2020
DHOH2023
DHOH2024
DHOH2025
DHOH2028

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1770
ChainResidue
AASP564
AHOH2018
AHOH2019
AHOH2020
AHOH2022

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE F07 A 1771
ChainResidue
AVAL678
AILE692
AMET713
AGLN726
APHE729

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE F07 D 1772
ChainResidue
DSER677
DILE692
DMET713
DGLN726
DPHE729

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGfsNsY
ChainResidueDetails
AHIS563-TYR574

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"17389385","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues317
DetailsDomain: {"description":"PDEase","evidences":[{"source":"PROSITE-ProRule","id":"PRU01192","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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