3ZVW

Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein

Replaces:  2Y5O

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	466	47647.0	4	UniProt (P39045) Pfam (PF02113)	ACTINOMADURA SP. R39	DD-CARBOXYPEPTIDASE, DD-PEPTIDASE, PENICILLIN-BINDING PROTEIN, PBP
2	AA, E, F, G, H... (C, A, D, B)	SULFATE ION	non-polymer		96.1	18	Chemie (SO4)
3	DA, EA, FA, GA, HA... (C, A, D, B)	MAGNESIUM ION	non-polymer		24.3	14	Chemie (MG)
4	M, W (B, C)	PHENYLACETAMIDOMETHYL BORONIC ACID	non-polymer		193.0	2	Chemie (FP5)
5	BA, R (C, B)	ACETONE	non-polymer		58.1	2	Chemie (ACN)
6	CA, S (C, B)	3,3-DIMETHYLBUTAN-1-OL	non-polymer		102.2	2	Chemie (33D)
7	PA (D)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
8	RA, SA, TA, UA (A, B, C, D)	water	water		18.0	1954	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190588.0
Non-Polymers*	Number of molecules	39
	Total formula weight	2971.2
All*	Total formula weight	193559.2

*Water molecules are not included.