3OC0

Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine

Replaces:  3KWH

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)	Dipeptidyl peptidase 4	polymer	728	84462.6	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (human)	Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, Adenosine deaminase complexing protein 2, ADCP-2, ADABP, Dipeptidyl peptidase 4 membrane form, Dipeptidyl peptidase IV membrane form, Dipeptidyl peptidase 4 soluble form, Dipeptidyl peptidase IV soluble form
2	C, D, E, F, H... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
3	G, L (A, B)	(2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine	non-polymer		318.5	2	Chemie (B2Q)
4	M, N (A, B)	water	water		18.0	79	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	168925.2
Non-Polymers*	Number of molecules	10
	Total formula weight	2406.6
All*	Total formula weight	171331.8

*Water molecules are not included.