5O6Y

Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Peptidoglycan N-acetylglucosamine deacetylase	polymer	214	24236.4	1	UniProt (Q81EK9) Pfam (PF01522) In PDB	Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NRRL B-3711)
2	B, C, D	Peptidoglycan N-acetylglucosamine deacetylase	polymer	214	24252.4	3	UniProt (Q81EK9) Pfam (PF01522) In PDB	Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 / NRRL B-3711)
3	D, A, C, B	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
4	D, A, C, B	4-naphthalen-1-yl-~{N}-oxidanyl-benzamide	non-polymer		263.3	4	Chemie (5YA)
5	A, C	3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL	non-polymer		634.8	2	Chemie (PE3)
6	B, D, A, C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	11	Chemie (PEG)
7	A	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	1	Chemie (PG0)
8	C, B, D, A	SODIUM ION	non-polymer		23.0	21	Chemie (NA)
9	D, B, A	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
10	D, C, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
11	B	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
12		water	water		18.0	748	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96993.6
Non-Polymers*	Number of molecules	58
	Total formula weight	5517.2
All*	Total formula weight	102510.8

*Water molecules are not included.