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3SNI

Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
B0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
B0007165biological_processsignal transduction
B0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 780
ChainResidue
AHOH2
AHOH72
AHIS519
AHIS553
AASP554
AASP664

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 781
ChainResidue
AHOH92
AHOH261
AASP554
AHOH43
AHOH72
AHOH89

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1
ChainResidue
AASN508
AASP556
AGLN588

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 546 A 782
ChainResidue
AHOH167
ATYR514
AHIS515
ASER667
AVAL668
AILE682
APHE686
AMET703
AGLN716
APHE719

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 780
ChainResidue
BHOH82
BHOH100
BHIS519
BHIS553
BASP554
BASP664

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 781
ChainResidue
BHOH25
BHOH50
BHOH82
BHOH263
BASP554

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1
ChainResidue
AHOH215
BHIS437
BMET438
BASN508
BGLN588

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 546 B 782
ChainResidue
BHOH44
BTYR514
BLEU665
BVAL668
BPHE686
BMET703
BGLN716
BPHE719

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 Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
AASN562
ASER606
AGLN640
AMET659
BASN562
BSER606
BGLN640
BMET659

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PDB entries from 2024-05-01

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