4B4X

Crystal structure of a complex between Actinomadura R39 DD-peptidase and a sulfonamide 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	466	47647.0	4	UniProt (P39045) Pfam (PF02113)	ACTINOMADURA SP R39	DD-CARBOXYPEPTIDASE, DD-PEPTIDASE, PENICILLIN-BINDING PROTEIN, PBP
2	BA, E, N, U (D, A, B, C)	trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)	non-polymer		184.0	4	Chemie (HQZ)
3	AA, CA, DA, EA, F... (C, D, A, B)	SULFATE ION	non-polymer		96.1	24	Chemie (SO4)
4	GA, HA, J, K (D, A)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	KA, LA, MA, NA (A, B, C, D)	water	water		18.0	347	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	190588.0
Non-Polymers*	Number of molecules	32
	Total formula weight	3138.7
All*	Total formula weight	193726.7

*Water molecules are not included.