5LAQ

Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	cAMP-specific 3',5'-cyclic phosphodiesterase 4B,cAMP-specific 3',5'-cyclic phosphodiesterase 4B	polymer	421	48442.7	1	UniProt (Q07343) Pfam (PF18100) Pfam (PF00233) In PDB	Homo sapiens (Human)	DPDE4,PDE32,DPDE4,PDE32
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A	(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one	non-polymer		584.7	1	Chemie (6M5)
6		water	water		18.0	85	Chemie (HOH)

Sequence modifications

A: 246 - 294 (UniProt: Q07343)

PDB	External Database	Details
Met 245	-	expression tag

A: 305 - 659 (UniProt: Q07343)

PDB	External Database	Details
Lys 295	-	linker
Val 296	-	linker
Thr 297	-	linker
Ala 298	-	linker
Glu 299	-	linker
Glu 300	-	linker
Ala 301	-	linker
Pro 302	-	linker
Gln 303	-	linker
Pro 304	-	linker
His 660	-	expression tag
His 661	-	expression tag
His 662	-	expression tag
His 663	-	expression tag
His 664	-	expression tag
His 665	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48442.7
Non-Polymers*	Number of molecules	6
	Total formula weight	851.6
All*	Total formula weight	49294.3

*Water molecules are not included.