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4AJF

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 A 1775
ChainResidue
AHIS529
AHIS563
AASP564
AASP674
AHOH2062
AHOH2079

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1776
ChainResidue
AHOH2079
AHOH2080
AHOH2093
AASP564
AHOH2063
AHOH2078

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE F03 A 1777
ChainResidue
AVAL678
AILE692
ATYR693
AMET713
AGLY725
AGLN726
APHE729
AHOH2217
DLEU706

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN D 1771
ChainResidue
DHIS529
DHIS563
DASP564
DASP674
DHOH2049
DHOH2059

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG D 1772
ChainResidue
DASP564
DHOH2048
DHOH2058
DHOH2059
DHOH2060
DHOH2074

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 Residues634
DetailsDomain: {"description":"PDEase","evidences":[{"source":"PROSITE-ProRule","id":"PRU01192","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"17389385","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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