6CYC

PDE2 in complex with compound 5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cGMP-dependent 3',5'-cyclic phosphodiesterase	polymer	373	43694.8	2	UniProt (O00408) Pfam (PF00233) In PDB	Homo sapiens (Human)	Cyclic GMP-stimulated phosphodiesterase,cGSPDE
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione	non-polymer		354.3	2	Chemie (FKJ)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
6		water	water		18.0	400	Chemie (HOH)

Sequence modifications

A, B: 578 - 919 (UniProt: O00408)

PDB	External Database	Details
Met 547	-	expression tag
His 548	-	expression tag
His 549	-	expression tag
His 550	-	expression tag
His 551	-	expression tag
His 552	-	expression tag
His 553	-	expression tag
Glu 554	-	expression tag
Asn 555	-	expression tag
Leu 556	-	expression tag
Tyr 557	-	expression tag
Phe 558	-	expression tag
Gln 559	-	expression tag
Gly 560	-	expression tag
Glu 561	-	expression tag
Leu 562	-	expression tag
Ser 563	-	expression tag
Thr 564	-	expression tag
Ser 565	-	expression tag
Leu 566	-	expression tag
Tyr 567	-	expression tag
Lys 568	-	expression tag
Lys 569	-	expression tag
Ala 570	-	expression tag
Gly 571	-	expression tag
Phe 572	-	expression tag
Asp 573	-	expression tag
Asp 574	-	expression tag
Asp 575	-	expression tag
Asp 576	-	expression tag
Lys 577	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87389.6
Non-Polymers*	Number of molecules	17
	Total formula weight	1570.7
All*	Total formula weight	88960.3

*Water molecules are not included.