5KBY

Crystal structure of dipeptidyl peptidase IV in complex with SYR-472

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)	ADABP,Adenosine deaminase complexing protein 2,ADCP-2,Dipeptidyl peptidase IV,DPP IV,T-cell activation antigen CD26,TP103
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	6	In PDB GlyTouCan (G42666HT)
3	D, A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)
4	D, A, B, C	2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile	non-polymer		357.4	4	Chemie (6RL)
5		water	water		18.0	1597	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	6
	Total formula weight	2546.4
Non-Polymers*	Number of molecules	19
	Total formula weight	4747.6
All*	Total formula weight	350397.8

*Water molecules are not included.