8H99

Crystal structure of E. coli ThrS catalytic domain mutant

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)	Threonine--tRNA ligase	polymer	410	47911.5	2	UniProt (E2QMS9) Pfam (PF00587) Pfam (PF03129) UniProt (by SIFTS) (P0A8M3)	Escherichia coli	Threonyl-tRNA synthetase,ThrRS
2	C, H (A, B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
3	D, I (A, B)	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
4	E, F, J, K (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	G, L (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	M, N (A, B)	water	water		18.0	698	Chemie (HOH)

Sequence modifications

A, B: 242 - 642 (UniProt: E2QMS9)

PDB	External Database	Details
Met 241	-	initiating methionine
Phe 462	Tyr 462	engineered mutation
Leu 643	-	expression tag
Glu 644	-	expression tag
His 645	-	expression tag
His 646	-	expression tag
His 647	-	expression tag
His 648	-	expression tag
His 649	-	expression tag
His 650	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95823.0
Non-Polymers*	Number of molecules	10
	Total formula weight	1380.6
All*	Total formula weight	97203.6

*Water molecules are not included.