3ZCZ

Crystal structure of a complex between Actinomadura R39 DD-peptidase and a trifluoroketone 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)	D-ALANYL-D-ALANINE CARBOXYPEPTIDASE	polymer	467	47704.1	4	UniProt (P39045) Pfam (PF02113)	ACTINOMADURA SP. R39	DD-CARBOXYPEPTIDASE, DD-PEPTIDASE, PENICILLIN-BINDING PROTEIN, PBP
2	E, M, R, X (A, B, C, D)	(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid	non-polymer		300.3	4	Chemie (TFR)
3	AA, BA, F, G, H... (D, A, B, C)	SULFATE ION	non-polymer		96.1	18	Chemie (SO4)
4	CA, DA, J, K (D, A)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	323	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190816.2
Non-Polymers*	Number of molecules	26
	Total formula weight	3027.5
All*	Total formula weight	193843.7

*Water molecules are not included.