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4TPP

2-(3-alkoxy-1-azetidinyl) quinolines as novel 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 Residues6
Detailsbinding site for residue ZN A 1001
ChainResidue
AHIS515
AHIS519
AHIS553
AASP554
AASP664
AZN1002

site_idAC2
Number of Residues5
Detailsbinding site for residue ZN A 1002
ChainResidue
AHOH1145
AHOH1147
AASP554
AZN1001
AHOH1144

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 1003
ChainResidue
APHE472
AGLU473
AASN474
AARG510

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 1004
ChainResidue
ALYS497
ALEU595
AGLY597
AHIS598
AASN599
AHOH1115

site_idAC5
Number of Residues5
Detailsbinding site for residue SO4 A 1005
ChainResidue
AVAL512
APRO513
AARG558
AGLY559
AGLU685

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 A 1006
ChainResidue
ALEU537
ALEU646
AASN647
AARG652
BLEU646
BASN647
BARG652

site_idAC7
Number of Residues2
Detailsbinding site for residue SO4 A 1007
ChainResidue
AARG510
AARG511

site_idAC8
Number of Residues4
Detailsbinding site for residue SO4 A 1008
ChainResidue
ATYR576
ASER577
ATHR578
AGLN583

site_idAC9
Number of Residues3
Detailsbinding site for residue SO4 A 1009
ChainResidue
AASN508
AGLN588
ASER591

site_idAD1
Number of Residues3
Detailsbinding site for residue GOL A 1010
ChainResidue
ASER650
AHIS651
AARG654

site_idAD2
Number of Residues8
Detailsbinding site for residue 35D A 1011
ChainResidue
ATYR683
APRO702
AMET703
ALYS708
AGLU711
AGLY715
AGLN716
APHE719

site_idAD3
Number of Residues5
Detailsbinding site for residue ZN B 801
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN802

site_idAD4
Number of Residues6
Detailsbinding site for residue ZN B 802
ChainResidue
BASP554
BZN801
BHOH922
BHOH923
BHOH936
BHOH937

site_idAD5
Number of Residues8
Detailsbinding site for residue SO4 B 803
ChainResidue
BSER605
BSER605
BSER605
BSER606
BSER606
BSER606
BHOH901
BHOH901

site_idAD6
Number of Residues3
Detailsbinding site for residue SO4 B 804
ChainResidue
BARG510
BARG511
BHOH927

site_idAD7
Number of Residues4
Detailsbinding site for residue SO4 B 805
ChainResidue
BLYS497
BGLY597
BHIS598
BASN599

site_idAD8
Number of Residues5
Detailsbinding site for residue SO4 B 806
ChainResidue
BARG558
BGLY559
BPHE560
BGLU685
BALA688

site_idAD9
Number of Residues9
Detailsbinding site for residue 35D B 807
ChainResidue
BLEU665
BTYR683
BPRO702
BMET703
BLYS708
BVAL712
BGLY715
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
AGLY630
AGLN649
BCYS552
BGLU596
BGLY630
BGLN649
ACYS552
AGLU596

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PDB entries from 2024-06-12

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