4IA0

Crystal structure of the PDE5A1 catalytic domain in complex with novel 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	14
Details	BINDING SITE FOR RESIDUE 5BB A 901

Chain	Residue
A	TYR612
A	MET816
A	GLN817
A	PHE820
A	HOH1008
A	HOH1020
A	TYR676
A	THR723
A	LEU725
A	ASP764
A	LEU765
A	ILE768
A	ALA779
A	PHE786

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 902

Chain	Residue
A	HIS617
A	HIS653
A	ASP654
A	ASP764
A	HOH1003
A	HOH1067

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site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 903

Chain	Residue
A	ASP654
A	HOH1001
A	HOH1002
A	HOH1060
A	HOH1067
A	HOH1068

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS653-TYR664

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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

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