4IMO

Crystal structure of wild type human Lipocalin PGDS in complex with substrate analog U44069

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lipocalin-type prostaglandin-D synthase	polymer	176	19748.1	1	UniProt (P41222) Pfam (PF00061) In PDB	Homo sapiens (human)	Beta-trace protein, Cerebrin-28, Glutathione-independent PGD synthase, Prostaglandin-H2 D-isomerase, Prostaglandin-D2 synthase, PGD2 synthase, PGDS, PGDS2
2	A	(5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid	non-polymer		350.5	2	Chemie (PWZ)
3	A	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
4		water	water		18.0	82	Chemie (HOH)

Sequence modifications

A: 23 - 190 (UniProt: P41222)

PDB	External Database	Details
Met 22	-	expression tag
Ala 191	-	expression tag
His 192	-	expression tag
His 193	-	expression tag
His 194	-	expression tag
His 195	-	expression tag
His 196	-	expression tag
His 197	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	19748.1
Non-Polymers*	Number of molecules	4
	Total formula weight	817.1
All*	Total formula weight	20565.3

*Water molecules are not included.