3CCB

Crystal Structure of Human DPP4 in complex with a benzimidazole derivative

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Dipeptidyl peptidase 4	polymer	740	85775.9	4	UniProt (P27487) Pfam (PF00930) Pfam (PF00326) In PDB	Homo sapiens (human)	Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, Adenosine deaminase complexing protein 2, ADABP
2	E, F, G, H, I	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	A, B, C, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
4	A, B, C, D	1-biphenyl-2-ylmethanamine	non-polymer		183.2	4	Chemie (B2Y)
5		water	water		18.0	676	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 27	-	expression tag
Asp 28	-	expression tag
Pro 29	-	expression tag
Gly 30	-	expression tag
Gly 31	-	expression tag
Ser 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	343103.8
Branched	Number of molecules	5
	Total formula weight	2122.0
Non-Polymers*	Number of molecules	16
	Total formula weight	3387.5
All*	Total formula weight	348613.3

*Water molecules are not included.