4Y2B

Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A	polymer	389	44549.2	1	UniProt (Q13946) Pfam (PF00233) In PDB	Homo sapiens (Human)	HCP1,TM22
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	3-ethyl-2-(propan-2-ylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one	non-polymer		314.4	1	Chemie (EPK)
5		water	water		18.0	284	Chemie (HOH)

Sequence modifications

A: 130 - 482 (UniProt: Q13946)

PDB	External Database	Details
Gly 94	-	expression tag
Ser 95	-	expression tag
Gly 96	-	expression tag
Met 97	-	expression tag
Lys 98	-	expression tag
Glu 99	-	expression tag
Thr 100	-	expression tag
Ala 101	-	expression tag
Ala 102	-	expression tag
Ala 103	-	expression tag
Lys 104	-	expression tag
Phe 105	-	expression tag
Glu 106	-	expression tag
Arg 107	-	expression tag
Gln 108	-	expression tag
His 109	-	expression tag
Met 110	-	expression tag
Asp 111	-	expression tag
Ser 112	-	expression tag
Pro 113	-	expression tag
Asp 114	-	expression tag
Leu 115	-	expression tag
Gly 116	-	expression tag
Thr 117	-	expression tag
Asp 118	-	expression tag
Asp 119	-	expression tag
Asp 120	-	expression tag
Asp 121	-	expression tag
Lys 122	-	expression tag
Ala 123	-	expression tag
Met 124	-	expression tag
Ala 125	-	expression tag
Asp 126	-	expression tag
Ile 127	-	expression tag
Gly 128	-	expression tag
Ser 129	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44549.2
Non-Polymers*	Number of molecules	3
	Total formula weight	404.1
All*	Total formula weight	44953.3

*Water molecules are not included.