5TZZ

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine

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 7OJ A 1001

Chain	Residue
A	TYR655
A	HOH1206
A	HOH1399
A	HIS656
A	LEU770
A	GLN812
A	TYR827
A	PHE830
A	MET847
A	GLN859
A	PHE862

---

site_id	AC2
Number of Residues	7
Details	binding site for residue ZN A 1002

Chain	Residue
A	HIS660
A	HIS696
A	ASP697
A	ASP808
A	MG1003
A	HOH1174
A	HOH1226

---

site_id	AC3
Number of Residues	7
Details	binding site for residue MG A 1003

Chain	Residue
A	ASP697
A	ZN1002
A	HOH1164
A	HOH1174
A	HOH1216
A	HOH1220
A	HOH1222

---

site_id	AC4
Number of Residues	14
Details	binding site for residue 7OJ B 1001

Chain	Residue
B	TYR655
B	HIS656
B	LEU770
B	LEU809
B	GLN812
B	ILE826
B	TYR827
B	PHE830
B	MET847
B	GLN859
B	PHE862
B	HOH1267
B	HOH1295
B	HOH1346

---

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	HOH1120
B	HOH1147

---

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

Chain	Residue
B	ASP697
B	HOH1144
B	HOH1147
B	HOH1178
B	HOH1209
B	HOH1286

---

site_id	AC7
Number of Residues	13
Details	binding site for residue 7OJ C 1001

Chain	Residue
C	TYR655
C	HIS656
C	LEU770
C	LEU809
C	GLN812
C	ILE826
C	TYR827
C	PHE830
C	MET847
C	GLN859
C	PHE862
C	HOH1247
C	HOH1248

---

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	HOH1132
C	HOH1221

---

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

Chain	Residue
C	ASP697
C	HOH1132
C	HOH1136
C	HOH1175
C	HOH1235
C	HOH1251

---

site_id	AD1
Number of Residues	12
Details	binding site for residue 7OJ D 1001

Chain	Residue
D	TYR655
D	HIS656
D	LEU770
D	LEU809
D	GLN812
D	ILE826
D	TYR827
D	PHE830
D	MET847
D	GLN859
D	PHE862
D	HOH1316

---

site_id	AD2
Number of Residues	7
Details	binding site for residue ZN D 1002

Chain	Residue
D	HIS660
D	HIS696
D	ASP697
D	ASP808
D	MG1003
D	HOH1130
D	HOH1173

---

site_id	AD3
Number of Residues	7
Details	binding site for residue MG D 1003

Chain	Residue
D	HOH1199
D	HOH1228
D	HOH1261
D	ASP697
D	ZN1002
D	HOH1130
D	HOH1150

---

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

---