3F8S

Crystal structure of dipeptidyl peptidase IV in complex with 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)	Dipeptidyl peptidase 4	polymer	748	86648.9	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	Homo sapiens	Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, Adenosine deaminase complexing protein 2, ADABP
2	C, D, E, F (C, D, E, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	G, I, J (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
4	H, K (A, B)	2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine	non-polymer		366.4	2	Chemie (PF2)

Sequence modifications

A, B: 31 - 766 (UniProt: P27487)

PDB	External Database	Details
Leu 767	-	expression tag
Val 768	-	expression tag
Pro 769	-	expression tag
Arg 770	-	expression tag
Gly 771	-	expression tag
Ser 772	-	expression tag
His 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag
His 776	-	expression tag
His 777	-	expression tag
His 778	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	173297.8
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1396.4
All*	Total formula weight	176391.9

*Water molecules are not included.