3IAD

Crystal structure of human phosphodiesterase 4D with bound allosteric modulator

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	377	43479.0	4	UniProt (Q08499) Pfam (PF00233)	Homo sapiens (human)	DPDE3, PDE43
2	E, I, N, R (A, B, C, D)	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea	non-polymer		395.4	4	Chemie (15X)
3	F, J, O, S (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	G, K, P, T (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	H, L, M, Q, U... (A, B, C, D)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	6	Chemie (EPE)
6	W, X, Y, Z (A, B, C, D)	water	water		18.0	203	Chemie (HOH)

Sequence modifications

A, B, C, D: 244 - 578 (UniProt: Q08499)

PDB	External Database	Details
Met 243	-	initiating methionine
Glu 607	-	expression tag
Asn 608	-	expression tag
Leu 609	-	expression tag
Tyr 610	-	expression tag
Phe 611	-	expression tag
Gln 612	-	expression tag
Gly 613	-	expression tag
His 614	-	expression tag
His 615	-	expression tag
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
His 619	-	expression tag

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

PDB	External Database	Details
Ala 579	-	linker
Pro 580	-	linker
Ala 581	-	linker
Pro 582	-	linker
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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	173915.9
Non-Polymers*	Number of molecules	18
	Total formula weight	3370.2
All*	Total formula weight	177286.1

*Water molecules are not included.