5XE9

Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule 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 (A, B)	Putative ABC transporter, ATP-binding protein ComA	polymer	152	17353.8	2	UniProt (Q8DW05) Pfam (PF03412)	Streptococcus mutans serotype c
2	C (B)	[(1~{S},2~{R},4~{S},5~{R})-5-[5-(4-methoxyphenyl)-2-methyl-pyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl ~{N}-propylcarbamate	non-polymer		412.5	1	Chemie (6CH)
3	D, E (A, B)	water	water		18.0	8	Chemie (HOH)

Sequence modifications

A, B: 6 - 150 (UniProt: Q8DW05)

PDB	External Database	Details
Met 5	-	initiating methionine
His 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
His 155	-	expression tag
His 156	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34707.7
Non-Polymers*	Number of molecules	1
	Total formula weight	412.5
All*	Total formula weight	35120.2

*Water molecules are not included.