6C7D

Crystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

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	11
Details	binding site for residue EOJ A 2001

Chain	Residue
A	LEU770
A	HOH2172
A	HOH2201
A	LEU774
A	LEU809
A	GLN812
A	ILE826
A	PHE830
A	GLN859
A	PHE862
A	HOH2134

---

site_id	AC2
Number of Residues	6
Details	binding site for residue ZN A 2002

Chain	Residue
A	HIS660
A	HIS696
A	ASP697
A	ASP808
A	HOH2125
A	HOH2211

---

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 2003

Chain	Residue
A	ASP697
A	HOH2114
A	HOH2125
A	HOH2152
A	HOH2182
A	HOH2222

---

site_id	AC4
Number of Residues	11
Details	binding site for residue EOJ B 2001

Chain	Residue
B	LEU770
B	LEU809
B	GLN812
B	ILE826
B	PHE830
B	PHE862
B	HOH2124
B	HOH2154
B	HOH2194
B	HOH2201
B	HOH2209

---

site_id	AC5
Number of Residues	6
Details	binding site for residue ZN B 2002

Chain	Residue
B	HIS660
B	HIS696
B	ASP697
B	ASP808
B	HOH2107
B	HOH2180

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG B 2003

Chain	Residue
B	ASP697
B	HOH2107
B	HOH2110
B	HOH2113
B	HOH2161
B	HOH2193

---

site_id	AC7
Number of Residues	11
Details	binding site for residue EOJ C 2001

Chain	Residue
B	GLY589
C	LEU770
C	LEU774
C	LEU809
C	ILE826
C	PHE830
C	PHE862
C	HOH2115
C	HOH2119
C	HOH2170
C	HOH2194

---

site_id	AC8
Number of Residues	6
Details	binding site for residue ZN C 2002

Chain	Residue
C	HIS660
C	HIS696
C	ASP697
C	ASP808
C	HOH2118
C	HOH2144

---

site_id	AC9
Number of Residues	6
Details	binding site for residue MG C 2003

Chain	Residue
C	ASP697
C	HOH2118
C	HOH2123
C	HOH2125
C	HOH2156
C	HOH2169

---

site_id	AD1
Number of Residues	12
Details	binding site for residue EOJ D 2001

Chain	Residue
A	ASP588
D	LEU770
D	LEU774
D	LEU809
D	GLN812
D	PHE830
D	MET847
D	PHE862
D	HOH2102
D	HOH2153
D	HOH2157
D	HOH2187

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN D 2002

Chain	Residue
D	HIS660
D	HIS696
D	ASP697
D	ASP808
D	HOH2119
D	HOH2124

---

site_id	AD3
Number of Residues	6
Details	binding site for residue MG D 2003

Chain	Residue
D	ASP697
D	HOH2115
D	HOH2119
D	HOH2141
D	HOH2193
D	HOH2207

---

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

---