5OHJ

Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor.

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	421	48442.7	2	UniProt (Q07343) Pfam (PF18100) 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)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, H (A, B)	[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate	non-polymer		729.6	2	Chemie (9VE)
5	I, J (A, B)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

A, B: 246 - 659 (UniProt: Q07343)

PDB	External Database	Details
Met 245	-	initiating methionine
Lys 295	Ser 290	conflict
Val 296	Pro 291	conflict
-	Gln 293	deletion
-	Lys 294	deletion
-	Asp 295	deletion
-	Arg 296	deletion
-	Glu 297	deletion
Ala 298	Lys 298	conflict
Glu 299	Lys 299	conflict
Glu 300	Lys 300	conflict
Ala 301	Lys 301	conflict
Pro 302	Gln 302	conflict
Pro 304	Leu 304	conflict
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	2
	Total formula weight	96885.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1638.6
All*	Total formula weight	98524.0

*Water molecules are not included.