3CZR

Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor

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)	Corticosteroid 11-beta-dehydrogenase isozyme 1	polymer	286	31836.9	2	UniProt (P28845) Pfam (PF00106)	Homo sapiens (Human)	11-DH, 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-HSD1
2	C, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D (A)	(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine	non-polymer		417.5	1	Chemie (3CZ)
4	F (B)	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	1	Chemie (CPS)
5	G, H (A, B)	water	water		18.0	146	Chemie (HOH)

Sequence modifications

A, B: 24 - 292 (UniProt: P28845)

PDB	External Database	Details
Met 7	-	expression tag
Lys 8	-	expression tag
His 9	-	expression tag
Gln 10	-	expression tag
His 11	-	expression tag
Gln 12	-	expression tag
His 13	-	expression tag
Gln 14	-	expression tag
His 15	-	expression tag
Gln 16	-	expression tag
His 17	-	expression tag
Gln 18	-	expression tag
His 19	-	expression tag
Gln 20	-	expression tag
Gln 21	-	expression tag
Pro 22	-	expression tag
Leu 23	-	expression tag
Ser 272	Cys 272	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63673.8
Non-Polymers*	Number of molecules	4
	Total formula weight	2519.2
All*	Total formula weight	66193.0

*Water molecules are not included.