6NJJ

Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	polymer	370	42593.1	4	UniProt (Q08499) Pfam (PF00233)	Homo sapiens (Human)	DPDE3,PDE43
2	E, I, L, P, T... (A, B, C, D)	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
3	F, M, Q, U (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	G, N, R, V (A, B, C, D)	(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid	non-polymer		405.8	4	Chemie (KR7)
5	H, W (A, D)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
6	J, O, S, Y (A, B, C, D)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
7	K (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
8	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	505	Chemie (HOH)

Sequence modifications

A, B, C, D: 244 - 582 (UniProt: Q08499)

PDB	External Database	Details
Met 243	-	expression tag
Ala 579	Ser 654	engineered mutation
Ala 581	Ser 656	engineered mutation

A, B, C, D: 593 - 606 (UniProt: Q08499)

PDB	External Database	Details
Pro 583	-	linker
Leu 584	-	linker
Asp 585	-	linker
Glu 586	-	linker
Gln 587	-	linker
Asn 588	-	linker
Arg 589	-	linker
Asp 590	-	linker
Ser 591	-	linker
Gln 592	-	linker
Glu 607	-	expression tag
Asn 608	-	expression tag
Leu 609	-	expression tag
Tyr 610	-	expression tag
Phe 611	-	expression tag
Gln 612	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	170372.2
Non-Polymers*	Number of molecules	21
	Total formula weight	2977.7
All*	Total formula weight	173349.9

*Water molecules are not included.