3W2T

Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with vildagliptin

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	740	85880.0	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 4 membrane form, Dipeptidyl peptidase IV membrane form, Dipeptidyl peptidase 4 soluble form, Dipeptidyl peptidase IV soluble form
2	C, G (C, G)	beta-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	2	In PDB GlyTouCan (G61843VN)
3	D, E, F, H, I... (D, E, F, 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)
4	K, P (A, B)	2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne	non-polymer		305.4	2	Chemie (LF7)
5	L, Q (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	M, N, O, R, S (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
7	T, U (A, B)	water	water		18.0	1027	Chemie (HOH)

Sequence modifications

A, B: 33 - 766 (UniProt: P27487)

PDB	External Database	Details
His 767	-	expression tag
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	171760.1
Branched	Number of molecules	8
	Total formula weight	3281.1
Non-Polymers*	Number of molecules	9
	Total formula weight	1901.1
All*	Total formula weight	176942.2

*Water molecules are not included.