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3SN7

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 Residues3
DetailsBINDING SITE FOR RESIDUE CL A 1
ChainResidue
AMET438
AASN508
AGLN588

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 540 A 780
ChainResidue
ATYR683
APHE686
AMET703
AGLN716
APHE719
BLEU696
BGLY697
AHOH54
AHOH73
AHIS515
ALEU665
ASER667
AILE682

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 781
ChainResidue
AHOH21
AHOH117
AHIS519
AHIS553
AASP554
AASP664
AMG782

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 782
ChainResidue
AHOH36
AHOH71
AHOH80
AHOH95
AHOH117
AASP554
AZN781

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1
ChainResidue
BHIS437
BASN508
BGLN588

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 540 B 780
ChainResidue
BHOH68
BHIS515
BLEU665
BVAL668
BTYR683
BPHE686
BGLY715
BGLN716
BPHE719

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 781
ChainResidue
BHOH50
BHOH180
BHIS519
BHIS553
BASP554
BASP664
BMG782

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 782
ChainResidue
BHOH56
BHOH78
BHOH180
BASP554
BZN781

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

221716

PDB entries from 2024-06-26

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