7K72

Structure of DNA ligase A from Mycobacterium tuberculosis bound to NAD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	DNA ligase A	polymer	336	37810.2	4	UniProt (P9WNV1) Pfam (PF22745) Pfam (PF01653)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	LigA,Polydeoxyribonucleotide synthase [NAD(+)]
2	E, J, P, T (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, G, K, L, Q... (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	9	Chemie (MG)
4	H, M (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	I, N, O, S, X (A, B, C, D)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	5	Chemie (MPD)
6	AA, BA, Y, Z (C, D, A, B)	water	water		18.0	807	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 328 (UniProt: P9WNV1)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151240.6
Non-Polymers*	Number of molecules	20
	Total formula weight	3543.5
All*	Total formula weight	154784.1

*Water molecules are not included.