8WII

Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with Obafluorin

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	47941.5	2	UniProt (A0A8S7FUD7) Pfam (PF00587) Pfam (PF03129) UniProt (by SIFTS) (P0A8M3)	Escherichia coli	Threonyl-tRNA synthetase,ThrRS
2	C, E (A, B)	~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide	non-polymer		358.3	2	Chemie (WE3)
3	D, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)

Sequence modifications

A, B: 242 - 642 (UniProt: A0A8S7FUD7)

PDB	External Database	Details
Met 241	-	initiating methionine
Ala 463	Gly 463	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	95883.1
Non-Polymers*	Number of molecules	4
	Total formula weight	847.4
All*	Total formula weight	96730.5

*Water molecules are not included.