3KKT

Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.

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 4B	polymer	398	45655.2	2	UniProt (Q07343) Pfam (PF00233)	Homo sapiens (human)	DPDE4, PDE32
2	C, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, G (A, B)	5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one	non-polymer		316.4	2	Chemie (0CP)
4	E, I (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	H (B)	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
6	J, K (A, B)	water	water		18.0	60	Chemie (HOH)

Sequence modifications

A, B: 152 - 528 (UniProt: Q07343)

PDB	External Database	Details
Met 131	-	expression tag
Gly 132	-	expression tag
Ser 133	-	expression tag
Ser 134	-	expression tag
His 135	-	expression tag
His 136	-	expression tag
His 137	-	expression tag
His 138	-	expression tag
His 139	-	expression tag
His 140	-	expression tag
Ser 141	-	expression tag
Ser 142	-	expression tag
Gly 143	-	expression tag
Leu 144	-	expression tag
Val 145	-	expression tag
Pro 146	-	expression tag
Arg 147	-	expression tag
Gly 148	-	expression tag
Ser 149	-	expression tag
His 150	-	expression tag
Met 151	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91310.4
Non-Polymers*	Number of molecules	7
	Total formula weight	1094.6
All*	Total formula weight	92405.0

*Water molecules are not included.