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4TPM

Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A 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 Residues5
Detailsbinding site for residue SO4 A 2001
ChainResidue
APHE472
AGLU473
AASN474
AARG510
AARG558

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 2002
ChainResidue
AASN599
ALYS497
ALEU595
AGLY597
AHIS598

site_idAC3
Number of Residues6
Detailsbinding site for residue SO4 A 2003
ChainResidue
AVAL512
AARG558
AGLY559
APHE560
AGLU685
AALA688

site_idAC4
Number of Residues8
Detailsbinding site for residue SO4 A 2004
ChainResidue
ALEU537
ALEU646
AASN647
AARG652
BLEU537
BLEU646
BASN647
BARG652

site_idAC5
Number of Residues2
Detailsbinding site for residue SO4 A 2005
ChainResidue
AARG510
AARG511

site_idAC6
Number of Residues5
Detailsbinding site for residue SO4 A 2006
ChainResidue
ALEU575
ATYR576
ASER577
ATHR578
AGLN583

site_idAC7
Number of Residues3
Detailsbinding site for residue SO4 A 2007
ChainResidue
AASN508
AGLN588
ASER591

site_idAC8
Number of Residues2
Detailsbinding site for residue GOL A 2008
ChainResidue
ASER650
AARG654

site_idAC9
Number of Residues12
Detailsbinding site for residue 35E A 2009
ChainResidue
ATYR514
ALEU665
ASER667
ATHR675
AALA679
AILE682
ATYR683
AMET703
AGLU711
AGLY715
AGLN716
APHE719

site_idAD1
Number of Residues5
Detailsbinding site for residue ZN A 2010
ChainResidue
AASP554
AZN2011
AHOH2123
AHOH2124
AHOH2125

site_idAD2
Number of Residues6
Detailsbinding site for residue ZN A 2011
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AZN2010
AHOH2122

site_idAD3
Number of Residues6
Detailsbinding site for residue SO4 B 2001
ChainResidue
BPHE472
BGLU473
BASN474
BARG510
BARG558
BHOH2101

site_idAD4
Number of Residues3
Detailsbinding site for residue SO4 B 2002
ChainResidue
BARG510
BARG511
BHOH2111

site_idAD5
Number of Residues4
Detailsbinding site for residue SO4 B 2003
ChainResidue
BPRO673
BGLY697
BILE698
BGLN699

site_idAD6
Number of Residues4
Detailsbinding site for residue SO4 B 2004
ChainResidue
BLYS497
BGLY597
BHIS598
BASN599

site_idAD7
Number of Residues6
Detailsbinding site for residue SO4 B 2005
ChainResidue
AASN645
AASN647
BTHR539
BASP540
BHOH2110
BHOH2125

site_idAD8
Number of Residues3
Detailsbinding site for residue SO4 B 2006
ChainResidue
BASN508
BGLN588
BSER591

site_idAD9
Number of Residues6
Detailsbinding site for residue SO4 B 2007
ChainResidue
BPRO513
BARG558
BGLY559
BPHE560
BGLU685
BALA688

site_idAE1
Number of Residues14
Detailsbinding site for residue 35E B 2008
ChainResidue
BMET703
BGLU711
BGLY715
BGLN716
BPHE719
BHOH2127
BTYR514
BLEU665
BSER667
BTHR675
BALA679
BILE682
BTYR683
BPHE686

site_idAE2
Number of Residues5
Detailsbinding site for residue ZN B 2009
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BHOH2134

site_idAE3
Number of Residues5
Detailsbinding site for residue ZN B 2010
ChainResidue
BASP554
BGLU582
BHOH2134
BHOH2135
BHOH2136

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
ACYS552
AGLU596
AGLY630
AGLN649
BCYS552
BGLU596
BGLY630
BGLN649

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PDB entries from 2024-10-09

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