4AJF

Identification and structural characterization of PDE10 fragment inhibitors

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
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 1775

Chain	Residue
A	HIS529
A	HIS563
A	ASP564
A	ASP674
A	HOH2062
A	HOH2079

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1776

Chain	Residue
A	HOH2079
A	HOH2080
A	HOH2093
A	ASP564
A	HOH2063
A	HOH2078

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site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE F03 A 1777

Chain	Residue
A	VAL678
A	ILE692
A	TYR693
A	MET713
A	GLY725
A	GLN726
A	PHE729
A	HOH2217
D	LEU706

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site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN D 1771

Chain	Residue
D	HIS529
D	HIS563
D	ASP564
D	ASP674
D	HOH2049
D	HOH2059

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 1772

Chain	Residue
D	ASP564
D	HOH2048
D	HOH2058
D	HOH2059
D	HOH2060
D	HOH2074

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	HIS563-TYR574

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF

Chain	Residue	Details
A	ASN572
A	SER616
A	GLN650
A	MET669
D	ASN572
D	SER616
D	GLN650
D	MET669

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