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3UUO

The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia

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 Residues9
DetailsBINDING SITE FOR RESIDUE 0CV A 1
ChainResidue
AHOH67
ALEU675
AILE692
ATYR693
AGLY725
AGLN726
APHE729
APO4773
BGLY707

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 0CV B 1
ChainResidue
BHOH30
BTYR524
BLEU675
BTYR693
BMET713
BGLY725
BGLN726
BPHE729
BPO4773

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 771
ChainResidue
AHOH2
AHOH49
AHOH66
AASP564
AZN772
APO4773
AHOH774

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 772
ChainResidue
AHIS529
AHIS563
AASP564
AASP674
AMG771
APO4773
AHOH774

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PO4 A 773
ChainResidue
A0CV1
AHOH7
AHOH49
AHOH62
AHOH66
AHIS525
AHIS529
AASP564
AASP674
AMG771
AZN772
AHOH774

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 771
ChainResidue
BHOH23
BHOH29
BHOH68
BHOH69
BASP564
BPO4773

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 772
ChainResidue
BHOH68
BHIS529
BHIS563
BASP564
BASP674
BPO4773

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE PO4 B 773
ChainResidue
B0CV1
BHOH6
BHOH15
BHOH32
BHOH68
BHOH69
BHIS525
BHIS529
BASP564
BASP674
BMG771
BZN772

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
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083
ChainResidueDetails
AHIS525
BHIS525

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
AGLY569
ATHR613
AGLU647
AILE666
BGLY569
BTHR613
BGLU647
BILE666

site_idSWS_FT_FI3
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:17389385
ChainResidueDetails
AHIS525
BASP564
BASP674
BGLN726
AHIS529
AHIS563
AASP564
AASP674
AGLN726
BHIS525
BHIS529
BHIS563

220113

PDB entries from 2024-05-22

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