3BJM

Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dipeptidyl peptidase 4	polymer	728	84462.6	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326) In PDB	Homo sapiens (Human)	Dipeptidyl peptidase IV, DPP IV,T-cell activation antigen CD26, TP103, Adenosine deaminase complexing protein 2, ADABP
2	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
3	A, B	(2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone	non-polymer		317.4	2	Chemie (BJM)
4		water	water		18.0	154	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	2404.5
All*	Total formula weight	171329.8

*Water molecules are not included.