3HDZ

Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent and Selective PDE5 Inhibitors

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
A	0007165	biological_process	signal transduction
A	0008081	molecular_function	phosphoric diester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PD6 A 400

Chain	Residue
A	HOH258
A	HOH376
A	ALA767
A	LEU804
A	MET816
A	GLN817
A	PHE820

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site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ZN A 864

Chain	Residue
A	HIS617
A	HIS653
A	ASP654
A	ASP764
A	MG865
A	HOH5
A	HOH27

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 865

Chain	Residue
A	HOH3
A	HOH5
A	HOH8
A	HOH383
A	HOH384
A	ASP654
A	ZN864

---

Functional Information from PROSITE/UniProt

site_id	PS00126
Number of Residues	12
Details	PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHpGvsNqF

Chain	Residue	Details
A	HIS653-PHE664

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083

Chain	Residue	Details
A	HIS613

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site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:12955149, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1T9R, ECO:0007744|PDB:1T9S, ECO:0007744|PDB:1TBF

Chain	Residue	Details
A	HIS617
A	HIS653
A	ASP654
A	ASP764

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:12955149

Chain	Residue	Details
A	GLN817

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:17727341, ECO:0000269|Ref.20, ECO:0007744|PDB:2QYK, ECO:0007744|PDB:3I8V

Chain	Residue	Details
A	MET675

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q07343

Chain	Residue	Details
A	TYR676

---