4HTX

Crystal structure of PDE2 catalytic domain in complex with BAY60-7550

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
C	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
C	0007165	biological_process	signal transduction
C	0008081	molecular_function	phosphoric diester hydrolase activity
D	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
D	0007165	biological_process	signal transduction
D	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	HOH1117
A	HOH1297

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1002

Chain	Residue
A	HOH1103
A	HOH1261
A	HOH1297
A	ASP697
A	HOH1101
A	HOH1102

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 19F A 1003

Chain	Residue
A	TYR655
A	HIS656
A	THR768
A	LEU770
A	LEU809
A	GLN812
A	ILE826
A	TYR827
A	PHE830
A	MET847
A	LEU858
A	GLN859
A	SER861
A	PHE862
A	ILE866
A	HOH1110
A	HOH1127
A	HOH1284

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 1001

Chain	Residue
B	HIS660
B	HIS696
B	ASP697
B	ASP808
B	HOH1133
B	HOH1219

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 1002

Chain	Residue
B	ASP697
B	HOH1101
B	HOH1102
B	HOH1103
B	HOH1104
B	HOH1219

---

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 19F B 1003

Chain	Residue
B	HIS656
B	THR768
B	LEU770
B	GLN812
B	ILE826
B	TYR827
B	PHE830
B	MET847
B	LEU858
B	GLN859
B	SER861
B	PHE862
B	ILE866
B	HOH1124
B	HOH1172
B	HOH1280
B	HOH1281

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN C 1001

Chain	Residue
C	HIS660
C	HIS696
C	ASP697
C	ASP808
C	HOH1105
C	HOH1120

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 1002

Chain	Residue
C	ASP697
C	HOH1103
C	HOH1104
C	HOH1105
C	HOH1106
C	HOH1122

---

site_id	AC9
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 19F C 1003

Chain	Residue
C	HIS656
C	LEU770
C	HIS773
C	GLN812
C	ILE826
C	TYR827
C	PHE830
C	MET847
C	LEU858
C	GLN859
C	SER861
C	PHE862
C	ILE866
C	ILE870
C	HOH1110
C	HOH1121
C	HOH1129
C	HOH1154
C	HOH1259

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN D 1001

Chain	Residue
D	HIS660
D	HIS696
D	ASP697
D	ASP808
D	HOH1106
D	HOH1238

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 1002

Chain	Residue
D	HOH1105
D	HOH1237
D	HOH1238
D	ASP697
D	HOH1103
D	HOH1104

---

site_id	BC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 19F D 1003

Chain	Residue
D	TYR655
D	HIS656
D	THR768
D	LEU770
D	LEU809
D	GLN812
D	ILE826
D	TYR827
D	PHE830
D	MET847
D	LEU858
D	GLN859
D	SER861
D	PHE862
D	ILE866
D	HOH1152
D	HOH1158

---

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	4
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	12
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	4
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

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