3HQW

Discovery of novel inhibitors of PDE10A

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	376	43319.6	1	UniProt (Q9QYJ6) Pfam (PF00233) In PDB	Rattus norvegicus (rat)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole	non-polymer		362.4	1	Chemie (PF4)
5		water	water		18.0	576	Chemie (HOH)

Sequence modifications

A: 442 - 784 (UniProt: Q9QYJ6)

PDB	External Database	Details
Met 409	-	expression tag
His 410	-	expression tag
His 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
His 414	-	expression tag
His 415	-	expression tag
Ser 416	-	expression tag
Ser 417	-	expression tag
Gly 418	-	expression tag
Leu 419	-	expression tag
Val 420	-	expression tag
Pro 421	-	expression tag
Arg 422	-	expression tag
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	43319.6
Non-Polymers*	Number of molecules	3
	Total formula weight	452.2
All*	Total formula weight	43771.7

*Water molecules are not included.