4PV7

Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold 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	Dipeptidyl peptidase 4 soluble form	polymer	752	87295.6	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326) In PDB	Homo sapiens (human)	ADABP, Adenosine deaminase complexing protein 2, ADCP-2, Dipeptidyl peptidase IV, DPP IV, T-cell activation antigen CD26, TP103, Dipeptidyl peptidase IV soluble form
2	A, B	1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine	non-polymer		369.3	2	Chemie (CJP)

Sequence modifications

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

PDB	External Database	Details
His 15	-	EXPRESSION TAG
His 16	-	EXPRESSION TAG
His 17	-	EXPRESSION TAG
His 18	-	EXPRESSION TAG
His 19	-	EXPRESSION TAG
His 20	-	EXPRESSION TAG
Asp 21	-	EXPRESSION TAG
Tyr 22	-	EXPRESSION TAG
Asp 23	-	EXPRESSION TAG
Ile 24	-	EXPRESSION TAG
Pro 25	-	EXPRESSION TAG
Thr 26	-	EXPRESSION TAG
Thr 27	-	EXPRESSION TAG
Glu 28	-	EXPRESSION TAG
Asn 29	-	EXPRESSION TAG
Leu 30	-	EXPRESSION TAG
Tyr 31	-	EXPRESSION TAG
Phe 32	-	EXPRESSION TAG
Gln 33	-	EXPRESSION TAG
Gly 34	-	EXPRESSION TAG
Ala 35	-	EXPRESSION TAG
Met 36	-	EXPRESSION TAG
Gly 37	-	EXPRESSION TAG
Ser 38	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	174591.2
Non-Polymers*	Number of molecules	2
	Total formula weight	738.5
All*	Total formula weight	175329.8

*Water molecules are not included.