3C43

Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin 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 soluble form	polymer	728	84476.6	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (Human)	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	9	In PDB GlyTouCan (G42666HT)
3	L, M, N, P, Q... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
4	O, S (A, B)	(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine	non-polymer		458.5	2	Chemie (315)
5	T, U (A, B)	water	water		18.0	721	Chemie (HOH)

Sequence modifications

A, B: 39 - 766 (UniProt: P27487)

PDB	External Database	Details
Thr 39	Ser 39	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	168953.3
Branched	Number of molecules	9
	Total formula weight	3819.6
Non-Polymers*	Number of molecules	8
	Total formula weight	2244.3
All*	Total formula weight	175017.2

*Water molecules are not included.