4N8E

DPP4 complexed with compound 12a

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	85831.2	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 (C)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G21381MC)
3	D, E, F, G, H... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
4	J, K, L, T, U... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	M, W (A, B)	1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one	non-polymer		320.9	2	Chemie (2KV)
6	X, Y (A, B)	water	water		18.0	1085	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ile 437	Ser 437	conflict
Ala 767	-	expression tag
Ala 768	-	expression tag
Ala 769	-	expression tag
Ser 770	-	expression tag
Trp 771	-	expression tag
Ser 772	-	expression tag
His 773	-	expression tag
Pro 774	-	expression tag
Gln 775	-	expression tag
Phe 776	-	expression tag
Glu 777	-	expression tag
Lys 778	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	171662.3
Branched	Number of molecules	1
	Total formula weight	910.8
Non-Polymers*	Number of molecules	20
	Total formula weight	3872.6
All*	Total formula weight	176445.7

*Water molecules are not included.