5AGR

Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP

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	24890.8	1	UniProt (P9WFV1) Pfam (PF13603) In PDB	MYCOBACTERIUM TUBERCULOSIS	LEUCYL-TRNA SYNTHETASE, LEURS, LEUCYL-TRNA SYNTHETASE
2	A	METHIONINE	non-polymer		149.2	1	Chemie (MET)
3	A	LEUCINE	non-polymer		131.2	1	Chemie (LEU)
4	A	3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine	non-polymer		533.2	1	Chemie (A52)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6		water	water		18.0	267	Chemie (HOH)

Sequence modifications

A: 309 - 513 (UniProt: P9WFV1)

PDB	External Database	Details
Met 282	-	expression tag
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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	24890.8
Non-Polymers*	Number of molecules	4
	Total formula weight	875.7
All*	Total formula weight	25766.4

*Water molecules are not included.