7ZXS

Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Dipeptidyl peptidase 9	polymer	850	97408.3	2	UniProt (Q86TI2) Pfam (PF19520) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (human)	DP9,Dipeptidyl peptidase IV-related protein 2,DPRP-2,Dipeptidyl peptidase IX,DPP IX,Dipeptidyl peptidase-like protein 9,DPLP9
2	B, D (B, D)	Dipeptidyl peptidase 9	polymer	850	97392.3	2	UniProt (Q86TI2) Pfam (PF19520) Pfam (PF00930) Pfam (PF00326)	Homo sapiens (human)	DP9,Dipeptidyl peptidase IV-related protein 2,DPRP-2,Dipeptidyl peptidase IX,DPP IX,Dipeptidyl peptidase-like protein 9,DPLP9
3	AA, E, M, MA (C, A, B, D)	2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide	non-polymer		458.6	4	Chemie (KBO)
4	BA, CA, DA, EA, F... (C, A, B, D)	1,2-ETHANEDIOL	non-polymer		62.1	41	Chemie (EDO)
5	IA, XA, Y (C, D, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	AB, BB, CB, DB (A, B, C, D)	water	water		18.0	1653	Chemie (HOH)

Sequence modifications

A, C: 20 - 863 (UniProt: Q86TI2)

PDB	External Database	Details
His 864	-	expression tag
His 865	-	expression tag
His 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag

B, D: 20 - 863 (UniProt: Q86TI2)

PDB	External Database	Details
His 864	-	expression tag
His 865	-	expression tag
His 866	-	expression tag
His 867	-	expression tag
His 868	-	expression tag
His 869	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	389601.3
Non-Polymers*	Number of molecules	48
	Total formula weight	4697.5
All*	Total formula weight	394298.8

*Water molecules are not included.