2XLN

Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate 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	489	50083.8	4	UniProt (P39045) Pfam (PF02113)	ACTINOMADURA SP	DD-CARBOXYPEPTIDASE, DD-PEPTIDASE, PENICILLIN-BINDING PROTEIN, PBP
2	E, K, Q, V (A, B, C, D)	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID	non-polymer		253.1	4	Chemie (EWA)
3	F, G, H, I, L... (A, B, C, D)	SULFATE ION	non-polymer		96.1	17	Chemie (SO4)
4	AA, J (D, A)	COBALT (II) ION	non-polymer		58.9	2	Chemie (CO)
5	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	816	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	200335.2
Non-Polymers*	Number of molecules	23
	Total formula weight	2763.2
All*	Total formula weight	203098.4

*Water molecules are not included.