3HR1

Discovery of novel inhibitors of PDE10A

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 997

Chain	Residue
A	HOH341
A	GLU473
A	ASN474
A	ARG510
A	SO4998

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 998

Chain	Residue
A	ASN474
A	ARG510
A	ARG558
A	SO4997
A	HOH153
A	HOH164
A	PHE472
A	GLU473

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE PF9 A 999

Chain	Residue
A	HOH8
A	HOH84
A	HOH98
A	TYR514
A	HIS647
A	LEU665
A	VAL668
A	TYR683
A	PHE686
A	PRO702
A	MET703
A	LYS708
A	GLU711
A	VAL712
A	GLY715
A	GLN716
A	PHE719
A	HOH829

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ZN A 1

Chain	Residue
A	MG2
A	HOH3
A	HOH115
A	HIS519
A	HIS553
A	ASP554
A	ASP664

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 2

Chain	Residue
A	ZN1
A	HOH3
A	HOH4
A	HOH5
A	ASP554
A	HOH785
A	HOH786

---

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	HIS553-TYR564

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083

Chain	Residue	Details
A	HIS515

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q9Y233

Chain	Residue	Details
A	HIS515
A	GLN716

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:17228859

Chain	Residue	Details
A	HIS553
A	ASP554
A	ASP664
A	HIS519

---