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3HC8

Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE PD4 A 901
ChainResidue
AHOH78
ALEU804
AGLN817
APHE820
AHOH878
AHOH405
AALA545
ATYR612
AILE729
AALA767
AILE768
AGLN775
AVAL782

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 864
ChainResidue
AHOH13
AHIS617
AHIS653
AASP654
AASP764

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 865
ChainResidue
AHOH13
AHOH88
AHOH463
AHOH465
AASP654

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 1
ChainResidue
APHE588
ASER705
AGLU707
AGLU708

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHpGvsNqF
ChainResidueDetails
AHIS653-PHE664

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083
ChainResidueDetails
AHIS613

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:12955149, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1T9R, ECO:0007744|PDB:1T9S, ECO:0007744|PDB:1TBF
ChainResidueDetails
AHIS617
AHIS653
AASP654
AASP764

site_idSWS_FT_FI3
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:12955149
ChainResidueDetails
AGLN817

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:17727341, ECO:0000269|Ref.20, ECO:0007744|PDB:2QYK, ECO:0007744|PDB:3I8V
ChainResidueDetails
AMET675

site_idSWS_FT_FI5
Number of Residues1
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q07343
ChainResidueDetails
ATYR676

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PDB entries from 2024-07-24

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