3G0C

Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1

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 (A, B, C, D)	Dipeptidyl peptidase 4	polymer	740	85775.9	4	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, Dipeptidyl peptidase 4 membrane form, Dipeptidyl peptidase IV membrane form, Dipeptidyl peptidase 4 soluble form, Dipeptidyl peptidase IV soluble form
2	E, F, G, H, I (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	J, O, T, W (A, B, C, D)	7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione	non-polymer		388.9	4	Chemie (RUF)
4	K, L, M, N, P... (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
5	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	774	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	4209.9
All*	Total formula weight	349435.7

*Water molecules are not included.