5VTA

Co-Crystal Structure of DPPIV with a Chemibody 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, C, D (A, B, C, D)	Dipeptidyl peptidase 4	polymer	739	85529.8	4	UniProt (P14740) Pfam (PF18811) Pfam (PF00930) Pfam (PF00326)	Rattus norvegicus (Rat)	Bile canaliculus domain-specific membrane glycoprotein,Dipeptidyl peptidase IV,DPP IV,GP110 glycoprotein,T-cell activation antigen CD26
2	E, F, I, K (L, E, G, J)	Fab light chain	polymer	213	23031.6	4		Mus musculus (Mouse)
3	G, H, J, L (H, F, I, K)	Fab heavy chain	polymer	217	23267.0	4		Mus musculus (Mouse)
4	AA, BA, CA, FA, GA... (B, C, A, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	21	Chemie (NAG)
5	R (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6	S, T, XA (A, D)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
7	DA, LA, MA, NA, OA... (B, C, A)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
8	EA, QA, Y, YA (B, C, A, D)	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide	non-polymer		707.8	4	Chemie (9K4)
9	AB, BB, CB, DB, EB... (B, C, D, L, E...)	water	water		18.0	118	Chemie (HOH)

Sequence modifications

A, B, C, D: 37 - 767 (UniProt: P14740)

PDB	External Database	Details
His 768	-	expression tag
His 769	-	expression tag
His 770	-	expression tag
His 771	-	expression tag
His 772	-	expression tag
His 773	-	expression tag
His 774	-	expression tag
His 775	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	527313.7
Non-Polymers*	Number of molecules	39
	Total formula weight	8609.8
All*	Total formula weight	535923.5

*Water molecules are not included.