3BAC

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	270	30143.3	1	UniProt (P43813) Pfam (PF01653) In PDB	Haemophilus influenzae	Polydeoxyribonucleotide synthase [NAD+]
2	A	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
3	A	N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide	non-polymer		428.5	1	Chemie (3B9)
4		water	water		18.0	15	Chemie (HOH)

Sequence modifications

A: 64 - 327 (UniProt: P43813)

PDB	External Database	Details
Gly 235	Asp 244	SEE REMARK 999
Asp 269	Gly 278	SEE REMARK 999
Gln 272	Arg 281	SEE REMARK 999
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30143.3
Non-Polymers*	Number of molecules	4
	Total formula weight	713.4
All*	Total formula weight	30856.7

*Water molecules are not included.