9TJT

Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd6 in the pre-activation state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Leucine--tRNA ligase	polymer	880	99516.0	1	UniProt (P07813)	Escherichia coli	Leucyl-tRNA synthetase,LeuRS
2	B (B)	tRNA(leu)	polymer	86	27723.4	1	GenBank (1845258627)	Escherichia coli
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)
4	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
5	E (B)	[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate	non-polymer		740.3	1	Chemie (EYT) PubChem (171396506)
6	F, G (A, B)	water	water		18.0	100	Chemie (HOH)

Sequence modifications

A: 1 - 860 (UniProt: P07813)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127239.5
Non-Polymers*	Number of molecules	3
	Total formula weight	897.8
All*	Total formula weight	128137.2

*Water molecules are not included.