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4AJD

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 1771
ChainResidue
AHIS529
AHIS563
AASP564
AASP674
AHOH2047
AHOH2065

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1772
ChainResidue
AHOH2065
AHOH2066
AHOH2082
AASP564
AHOH2048
AHOH2064

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN D 1770
ChainResidue
DHIS529
DHIS563
DASP564
DASP674
DHOH2050
DHOH2060

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG D 1771
ChainResidue
DASP564
DHOH2049
DHOH2059
DHOH2060
DHOH2061
DHOH2080

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE F04 A 1773
ChainResidue
AILE692
ATYR693
AGLN726
APHE729
AHOH2145

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE F04 D 1772
ChainResidue
DILE692
DTYR693
DGLN726
DPHE729
DHOH2045
DHOH2115

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 Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
AASN572
ASER616
AGLN650
AMET669
DASN572
DSER616
DGLN650
DMET669

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PDB entries from 2024-07-17

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