3QI3

Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
A	0004115	molecular_function	3',5'-cyclic-AMP phosphodiesterase activity
A	0005515	molecular_function	protein binding
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005794	cellular_component	Golgi apparatus
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0007165	biological_process	signal transduction
A	0008081	molecular_function	phosphoric diester hydrolase activity
A	0010613	biological_process	positive regulation of cardiac muscle hypertrophy
A	0016787	molecular_function	hydrolase activity
A	0032587	cellular_component	ruffle membrane
A	0042383	cellular_component	sarcolemma
A	0043204	cellular_component	perikaryon
A	0046068	biological_process	cGMP metabolic process
A	0046069	biological_process	cGMP catabolic process
A	0046872	molecular_function	metal ion binding
A	0047555	molecular_function	3',5'-cyclic-GMP phosphodiesterase activity
A	0048471	cellular_component	perinuclear region of cytoplasm
A	0141162	biological_process	negative regulation of cAMP/PKA signal transduction
A	1900273	biological_process	positive regulation of long-term synaptic potentiation
A	2000178	biological_process	negative regulation of neural precursor cell proliferation
B	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
B	0004115	molecular_function	3',5'-cyclic-AMP phosphodiesterase activity
B	0005515	molecular_function	protein binding
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005794	cellular_component	Golgi apparatus
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0007165	biological_process	signal transduction
B	0008081	molecular_function	phosphoric diester hydrolase activity
B	0010613	biological_process	positive regulation of cardiac muscle hypertrophy
B	0016787	molecular_function	hydrolase activity
B	0032587	cellular_component	ruffle membrane
B	0042383	cellular_component	sarcolemma
B	0043204	cellular_component	perikaryon
B	0046068	biological_process	cGMP metabolic process
B	0046069	biological_process	cGMP catabolic process
B	0046872	molecular_function	metal ion binding
B	0047555	molecular_function	3',5'-cyclic-GMP phosphodiesterase activity
B	0048471	cellular_component	perinuclear region of cytoplasm
B	0141162	biological_process	negative regulation of cAMP/PKA signal transduction
B	1900273	biological_process	positive regulation of long-term synaptic potentiation
B	2000178	biological_process	negative regulation of neural precursor cell proliferation

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PDB A 600

Chain	Residue
A	HIS252
A	HOH548
A	ASN405
A	LEU420
A	LEU421
A	TYR424
A	ALA452
A	GLU453
A	PHE456
A	HOH544

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PDB B 600

Chain	Residue
A	ILE496
A	ALA499
A	MET500
A	LEU503
B	MET365
B	LEU420
B	LEU421
B	TYR424
B	PHE441
B	ALA452
B	GLU453
B	PHE456
B	HOH544

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 534

Chain	Residue
A	HIS256
A	HIS292
A	ASP293
A	ASP402
A	HOH536
A	HOH537

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 535

Chain	Residue
A	ASP293
A	HOH537
A	HOH538
A	HOH539
A	HOH540
A	HOH541

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 534

Chain	Residue
B	HIS256
B	HIS292
B	ASP293
B	ASP402
B	HOH536
B	HOH541

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 535

Chain	Residue
B	ASP293
B	HOH537
B	HOH538
B	HOH539
B	HOH540
B	HOH541

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS292-TYR303

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"18757755","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18757755","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18757755","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19919087","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20121115","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21483814","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22985069","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23025719","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2HD1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YY2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3DYN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3JSI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3JSW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3K3E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3K3H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N3Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E90","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4G2J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4G2L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4GH6","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q8QZV1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---