3NOX

Crystal structure of human DPP-IV in complex with Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone

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 (CD26, adenosine deaminase complexing protein 2)	polymer	753	87450.8	2	UniProt (Q53TN1) Pfam (PF00930) Pfam (PF00326) UniProt (by SIFTS) (P27487) In PDB	Homo sapiens (human)	Dipeptidylpeptidase IV
2	C, D	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	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)
4	A, B	Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone	non-polymer		420.3	2	Chemie (6A5)
5	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	479	Chemie (HOH)

Sequence modifications

A, B: 39 - 766 (UniProt: Q53TN1)

PDB	External Database	Details
Glu 37	-	expression tag
Phe 38	-	expression tag
Pro 767	-	expression tag
Leu 768	-	expression tag
Glu 769	-	expression tag
Gln 770	-	expression tag
Lys 771	-	expression tag
Leu 772	-	expression tag
Ile 773	-	expression tag
Ser 774	-	expression tag
Glu 775	-	expression tag
Glu 776	-	expression tag
Asp 777	-	expression tag
Leu 778	-	expression tag
Asn 779	-	expression tag
Ser 780	-	expression tag
Ala 781	-	expression tag
Val 782	-	expression tag
Asp 783	-	expression tag
His 784	-	expression tag
His 785	-	expression tag
His 786	-	expression tag
His 787	-	expression tag
His 788	-	expression tag
His 789	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	174901.7
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	13
	Total formula weight	3144.8
All*	Total formula weight	178895.2

*Water molecules are not included.