3B6H

Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Prostacyclin synthase	polymer	498	57271.7	2	UniProt (Q16647) Pfam (PF00067) In PDB	Homo sapiens (human)	cytochrome P450 8A1, Prostaglandin I2 synthase
2	A, B	octyl beta-D-glucopyranoside	non-polymer		292.4	2	Chemie (BOG)
3	A, B	6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE	non-polymer		209.2	2	Chemie (MXD)
4	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
5		water	water		18.0	765	Chemie (HOH)

Sequence modifications

A, B: 18 - 500 (UniProt: Q16647)

PDB	External Database	Details
Met 11	-	expression tag
Ala 12	-	expression tag
Lys 13	-	expression tag
Lys 14	-	expression tag
Thr 15	-	expression tag
Ser 16	-	expression tag
Ser 17	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114543.3
Non-Polymers*	Number of molecules	6
	Total formula weight	2236.2
All*	Total formula weight	116779.5

*Water molecules are not included.