3QPP

Structure of PDE10-inhibitor complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	polymer	362	41661.7	1	UniProt (Q9QYJ6) Pfam (PF00233) In PDB	Rattus norvegicus (brown rat rat rats)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
6	A	7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline	non-polymer		490.6	1	Chemie (PFW)
7		water	water		18.0	288	Chemie (HOH)

Sequence modifications

A: 442 - 784 (UniProt: Q9QYJ6)

PDB	External Database	Details
Met 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
Ser 430	-	expression tag
Ser 431	-	expression tag
Gly 432	-	expression tag
Leu 433	-	expression tag
Val 434	-	expression tag
Pro 435	-	expression tag
Arg 436	-	expression tag
Gly 437	-	expression tag
Ser 438	-	expression tag
Ala 439	-	expression tag
Met 440	-	expression tag
Gly 441	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41661.7
Non-Polymers*	Number of molecules	6
	Total formula weight	832.6
All*	Total formula weight	42494.4

*Water molecules are not included.