7QI8

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lysine--tRNA ligase 1	polymer	526	58129.6	1	UniProt (P9WFU9) Pfam (PF01336) Pfam (PF00152) In PDB	Mycobacterium tuberculosis H37Rv	Lysyl-tRNA synthetase 1,LysRS 1
2	A	LYSINE	non-polymer		147.2	1	Chemie (LYS)
3	A	2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one	non-polymer		328.3	1	Chemie (DD0)
4		water	water		18.0	69	Chemie (HOH)

Sequence modifications

A: 1 - 505 (UniProt: P9WFU9)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -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
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 455	Met 455	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	58129.6
Non-Polymers*	Number of molecules	2
	Total formula weight	475.5
All*	Total formula weight	58605.1

*Water molecules are not included.