6C7J

Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-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	15
Details	binding site for residue EPV A 1001

Chain	Residue
A	HIS656
A	ILE866
A	ILE870
A	HOH1101
A	HOH1154
A	HOH1246
A	HOH1251
A	THR768
A	LEU770
A	ASP808
A	LEU809
A	GLN812
A	ILE826
A	MET847
A	PHE862

---

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

Chain	Residue
A	HIS660
A	HIS696
A	ASP697
A	ASP808
A	HOH1151
A	HOH1222

---

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 1003

Chain	Residue
A	ASP697
A	HOH1116
A	HOH1151
A	HOH1157
A	HOH1186
A	HOH1254

---

site_id	AC4
Number of Residues	12
Details	binding site for residue EPV B 1001

Chain	Residue
B	HIS656
B	THR768
B	LEU770
B	ASP808
B	LEU809
B	ILE826
B	MET847
B	PHE862
B	HOH1133
B	HOH1211
B	HOH1253
B	HOH1266

---

site_id	AC5
Number of Residues	6
Details	binding site for residue ZN B 1002

Chain	Residue
B	HIS660
B	HIS696
B	ASP697
B	ASP808
B	HOH1102
B	HOH1242

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG B 1003

Chain	Residue
B	ASP697
B	HOH1102
B	HOH1131
B	HOH1147
B	HOH1173
B	HOH1197

---

site_id	AC7
Number of Residues	11
Details	binding site for residue EPV C 1001

Chain	Residue
C	HIS656
C	THR768
C	LEU770
C	ASP808
C	LEU809
C	GLN812
C	PHE862
C	HOH1117
C	HOH1162
C	HOH1188
C	HOH1247

---

site_id	AC8
Number of Residues	6
Details	binding site for residue ZN C 1002

Chain	Residue
C	HIS660
C	HIS696
C	ASP697
C	ASP808
C	HOH1136
C	HOH1196

---

site_id	AC9
Number of Residues	6
Details	binding site for residue MG C 1003

Chain	Residue
C	ASP697
C	HOH1119
C	HOH1133
C	HOH1136
C	HOH1166
C	HOH1169

---

site_id	AD1
Number of Residues	13
Details	binding site for residue EPV D 1001

Chain	Residue
D	HIS656
D	THR768
D	LEU770
D	ASP808
D	LEU809
D	GLN812
D	ILE826
D	MET847
D	PHE862
D	HOH1118
D	HOH1180
D	HOH1244
D	HOH1279

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN D 1002

Chain	Residue
D	HIS660
D	HIS696
D	ASP697
D	ASP808
D	HOH1143
D	HOH1238

---

site_id	AD3
Number of Residues	6
Details	binding site for residue MG D 1003

Chain	Residue
D	ASP697
D	HOH1125
D	HOH1127
D	HOH1143
D	HOH1204
D	HOH1214

---

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

---