3BAA

Structural Basis for the Inhibition of Bacterial NAD+ Dependent DNA Ligase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	DNA ligase	polymer	332	38032.7	1	UniProt (Q837V6) Pfam (PF01653) In PDB	Enterococcus faecalis (Streptococcus faecalis)
2	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	non-polymer		335.2	1	Chemie (NMN)
4	A	7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide	non-polymer		354.4	1	Chemie (3BA)
5	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A: 1 - 324 (UniProt: Q837V6)

PDB	External Database	Details
Leu 325	-	expression tag
Glu 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38032.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1258.1
All*	Total formula weight	39290.8

*Water molecules are not included.