2QT9

Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine 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	766	88381.3	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, ADABP
2	C, F (L, O)	2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G07375KG)
3	D, E, G, H, I... (M, N, P, Q, R...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	7	In PDB GlyTouCan (G42666HT)
4	L, M, N, Q, R... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	O (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	P, T (A, B)	(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE	non-polymer		430.5	2	Chemie (524)
7	AA, BA, CA, U, V... (R, S, T, A, B...)	water	water		18.0	1304	Chemie (HOH)

Sequence modifications

A, B: 1 - 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	176762.6
Branched	Number of molecules	9
	Total formula weight	3819.6
Non-Polymers*	Number of molecules	9
	Total formula weight	2211.3
All*	Total formula weight	182793.5

*Water molecules are not included.