3BYZ

2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors

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	Corticosteroid 11-beta-dehydrogenase isozyme 1	polymer	275	30486.4	4	UniProt (P28845) Pfam (PF00106) In PDB	Homo sapiens (human)	11-DH, 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-HSD1
2	A, B, C, D	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	4	Chemie (NDP)
3	A, B, C, D	(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one	non-polymer		282.4	4	Chemie (H11)

Sequence modifications

A, B, C, D: 25 - 292 (UniProt: P28845)

PDB	External Database	Details
Met 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
Ser 272	Cys 266	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	121945.7
Non-Polymers*	Number of molecules	8
	Total formula weight	4111.5
All*	Total formula weight	126057.2

*Water molecules are not included.