8OEG

PDE4B bound to MAPI compound 92a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	polymer	421	48442.7	1	UniProt (Q07343) Pfam (PF18100) Pfam (PF00233)	Homo sapiens (human)	DPDE4,PDE32
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (A)	[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate	non-polymer		727.7	1	Chemie (VL9)
5	E (A)	water	water		18.0	116	Chemie (HOH)

Sequence modifications

A: 246 - 659 (UniProt: Q07343)

PDB	External Database	Details
Met 245	-	initiating methionine
Lys 295	Ser 290	conflict
Val 296	Pro 291	conflict
Ala 298	Gln 293	conflict
Glu 299	Lys 294	conflict
Glu 300	Asp 295	conflict
-	Arg 296	deletion
-	Glu 297	deletion
-	Lys 298	deletion
-	Lys 299	deletion
-	Lys 300	deletion
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	1
	Total formula weight	48442.7
Non-Polymers*	Number of molecules	3
	Total formula weight	817.4
All*	Total formula weight	49260.1

*Water molecules are not included.