2Y4A

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

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	D-ALANYL-D-ALANINE CARBOXYPEPTIDASE	polymer	466	47647.0	4	UniProt (P39045) Pfam (PF02113) In PDB	ACTINOMADURA SP	DD-PEPTIDASE, DD-CARBOXYPEPTIDASE, PENICILLIN-BINDING PROTEIN, PBP
2	A, B, C, D	{[(2-chlorobenzoyl)amino]methyl}boronic acid	non-polymer		213.4	4	Chemie (BH6)
3	D, A, B, C	SULFATE ION	non-polymer		96.1	20	Chemie (SO4)
4	D, A	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5		water	water		18.0	162	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190588.0
Non-Polymers*	Number of molecules	28
	Total formula weight	2872.2
All*	Total formula weight	193460.2

*Water molecules are not included.