3QBJ

Crystal structure of dipeptidyl peptidase IV in complex with 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	748	86562.9	2	UniProt (P27487) Pfam (PF00930) Pfam (PF00326)	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	C, E (C, E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D (D)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
4	F, G, I (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
5	H, J (A, B)	1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one	non-polymer		337.4	2	Chemie (NXZ)
6	K, L (A, B)	water	water		18.0	71	Chemie (HOH)

Sequence modifications

A, B: 31 - 766 (UniProt: P27487)

PDB	External Database	Details
Ala 150	Asn 150	engineered mutation
Ala 520	Asn 520	engineered mutation
Leu 767	-	expression tag
Val 768	-	expression tag
Pro 769	-	expression tag
Arg 770	-	expression tag
Gly 771	-	expression tag
Ser 772	-	expression tag
His 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag
His 776	-	expression tag
His 777	-	expression tag
His 778	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	173125.8
Branched	Number of molecules	3
	Total formula weight	1597.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1338.5
All*	Total formula weight	176061.7

*Water molecules are not included.