3VJL

Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2

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	740	85880.0	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (human)	ADABP, Adenosine deaminase complexing protein 2, ADCP-2, Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, 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, G (C, D, E, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
3	H, L (A, B)	[(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone	non-polymer		479.6	2	Chemie (W94)
4	I, J, K, M, N... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	P, Q (A, B)	water	water		18.0	894	Chemie (HOH)

Sequence modifications

A, B: 33 - 766 (UniProt: P27487)

PDB	External Database	Details
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	171760.1
Branched	Number of molecules	5
	Total formula weight	2122.0
Non-Polymers*	Number of molecules	8
	Total formula weight	2286.4
All*	Total formula weight	176168.4

*Water molecules are not included.