7PQK

Co-Crystal Structure of M. tuberculosis LeuRS in Complex with the Adduct Formed by Prodrug Cmpd1 with Adenosine-monophosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Leucine--tRNA ligase	polymer	232	24920.8	1	UniProt (P9WFV1) Pfam (PF13603) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Leucyl-tRNA synthetase,LeuRS
2	A	(S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol	non-polymer		585.7	1	Chemie (81D)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A: 313 - 513 (UniProt: P9WFV1)

PDB	External Database	Details
Met 1	-	initiating methionine
Lys 283	-	expression tag
His 284	-	expression tag
His 285	-	expression tag
His 286	-	expression tag
His 287	-	expression tag
His 288	-	expression tag
His 289	-	expression tag
Pro 290	-	expression tag
Met 291	-	expression tag
Ser 292	-	expression tag
Asp 293	-	expression tag
Tyr 294	-	expression tag
Asp 295	-	expression tag
Ile 296	-	expression tag
Pro 297	-	expression tag
Thr 298	-	expression tag
Thr 299	-	expression tag
Glu 300	-	expression tag
Asn 301	-	expression tag
Leu 302	-	expression tag
Tyr 303	-	expression tag
Phe 304	-	expression tag
Gln 305	-	expression tag
Gly 306	-	expression tag
Ala 307	-	expression tag
Met 308	-	expression tag
Gly 309	-	expression tag
Arg 310	-	expression tag
Ser 311	-	expression tag
Met 312	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24920.8
Non-Polymers*	Number of molecules	2
	Total formula weight	647.7
All*	Total formula weight	25568.6

*Water molecules are not included.