9M1F

Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with chuangxinmycin and ATP in closed-closed state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Tryptophan--tRNA ligase	polymer	340	38313.7	2	UniProt (E2QFN4) Pfam (PF00579) UniProt (by SIFTS) (P00954)	Escherichia coli	Tryptophanyl-tRNA synthetase,TrpRS
2	C, F (A, B)	(5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid	non-polymer		233.3	2	Chemie (9E0)
3	D, G (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
4	E, I (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	H (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	J, K (A, B)	water	water		18.0	558	Chemie (HOH)

Sequence modifications

A, B: 1 - 334 (UniProt: E2QFN4)

PDB	External Database	Details
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76627.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1621.6
All*	Total formula weight	78249.0

*Water molecules are not included.