7CBQ

Crystal structure of PDE4D catalytic domain in complex with Apremilast

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	polymer	349	40096.4	2	UniProt (Q08499) Pfam (PF00233)	Homo sapiens (Human)	PDE4D, DPDE3, PDE43
2	C, E, O (A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	D, P (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G, H, I, J... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5	M, T (A, B)	N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide	non-polymer		460.5	2	Chemie (A9L)
6	U, V (A, B)	water	water		18.0	407	Chemie (HOH)

Sequence modifications

A, B: 86 - 413 (UniProt: Q08499)

PDB	External Database	Details
Met 65	-	expression tag
Gly 66	-	expression tag
Ser 67	-	expression tag
Ser 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag
His 71	-	expression tag
His 72	-	expression tag
His 73	-	expression tag
His 74	-	expression tag
Ser 75	-	expression tag
Ser 76	-	expression tag
Gly 77	-	expression tag
Leu 78	-	expression tag
Val 79	-	expression tag
Pro 80	-	expression tag
Arg 81	-	expression tag
Gly 82	-	expression tag
Ser 83	-	expression tag
His 84	-	expression tag
Met 85	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80192.7
Non-Polymers*	Number of molecules	18
	Total formula weight	1807.5
All*	Total formula weight	82000.2

*Water molecules are not included.