6B96

Crystal Structure of PDE2 in complex with compound 16

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
B	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
B	0007165	biological_process	signal transduction
B	0008081	molecular_function	phosphoric diester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue ZN A 1001

Chain	Residue
A	HIS660
A	HIS696
A	ASP697
A	ASP808
A	HOH1107
A	HOH1162

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 1002

Chain	Residue
A	HOH1123
A	HOH1134
A	HOH1157
A	ASP697
A	HOH1102
A	HOH1107

---

site_id	AC3
Number of Residues	13
Details	binding site for residue CZV A 1003

Chain	Residue
A	HIS656
A	THR768
A	LEU770
A	THR805
A	ASP808
A	LEU809
A	TYR827
A	GLN859
A	PHE862
A	HOH1120
A	HOH1125
A	HOH1187
A	HOH1199

---

site_id	AC4
Number of Residues	4
Details	binding site for residue EDO A 1004

Chain	Residue
A	ILE735
A	ASN739
A	TYR754
B	ARG751

---

site_id	AC5
Number of Residues	6
Details	binding site for residue ZN B 1001

Chain	Residue
B	HIS660
B	HIS696
B	ASP697
B	ASP808
B	HOH1110
B	HOH1156

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG B 1002

Chain	Residue
B	ASP697
B	HOH1107
B	HOH1110
B	HOH1138
B	HOH1157
B	HOH1218

---

site_id	AC7
Number of Residues	13
Details	binding site for residue CZV B 1003

Chain	Residue
B	THR768
B	LEU770
B	THR805
B	ASP808
B	ILE826
B	TYR827
B	GLN859
B	PHE862
B	EDO1004
B	HOH1139
B	HOH1161
B	HOH1211
B	HOH1212

---

site_id	AC8
Number of Residues	6
Details	binding site for residue EDO B 1004

Chain	Residue
B	THR768
B	ASP769
B	LEU770
B	CZV1003
B	HOH1120
B	HOH1212

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS696-PHE707

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15938621","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19828435","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23899287","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3IBJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4JIB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15938621","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19828435","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23899287","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z1L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ITU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HTZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4JIB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---