6F8X

Crystal structure of the PDE4D catalytic domain in complex with GEBR-26g

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	343	39624.9	2	UniProt (Q08499) Pfam (PF00233)	Homo sapiens (Human)	DPDE3,PDE43
2	C, J (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, E, F, K (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	G, M (A, B)	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide	non-polymer		406.5	2	Chemie (D08)
5	H, I (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	L (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
7	N, O (A, B)	water	water		18.0	455	Chemie (HOH)

Sequence modifications

A, B: 244 - 579 (UniProt: Q08499)

PDB	External Database	Details
Met 243	-	initiating methionine
Ala 579	Ser 579	conflict
His 580	-	expression tag
His 581	-	expression tag
His 582	-	expression tag
His 583	-	expression tag
His 584	-	expression tag
His 585	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79249.9
Non-Polymers*	Number of molecules	11
	Total formula weight	1243.3
All*	Total formula weight	80493.1

*Water molecules are not included.