5TT5

Escherichia coli LigA (K115M) in complex with NAD+

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA ligase	polymer	691	76178.7	1	UniProt (P15042) Pfam (PF22745) Pfam (PF01653) Pfam (PF03120) Pfam (PF03119) Pfam (PF14520) Pfam (PF00633) Pfam (PF00533)	Escherichia coli (strain K12)	Polydeoxyribonucleotide synthase [NAD(+)]
2	B (A)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	1	Chemie (NAD)
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (A)	water	water		18.0	840	Chemie (HOH)

Sequence modifications

A: 1 - 671 (UniProt: P15042)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag
Met 115	Lys 115	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	76178.7
Non-Polymers*	Number of molecules	3
	Total formula weight	753.1
All*	Total formula weight	76931.8

*Water molecules are not included.