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4BBX

Discovery of a potent, selective and orally active PDE10A inhibitor 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 Residues11
DetailsBINDING SITE FOR RESIDUE LKF A 1760
ChainResidue
ATYR514
AHOH2008
BGLY697
ALEU625
ALEU665
AILE682
APHE686
AMET703
AMET704
AGLN716
APHE719

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1761
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AHOH2009
AHOH2013

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1762
ChainResidue
AASP554
AHOH2010
AHOH2012
AHOH2013
AHOH2014
AHOH2017

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE LKF B 1760
ChainResidue
BTYR514
BPHE629
BLEU665
BILE682
BTYR683
BMET703
BGLN716
BPHE719

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 1761
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BHOH2009

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1762
ChainResidue
BASP554
BHOH2006
BHOH2008
BHOH2009
BHOH2010
BHOH2015

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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