8WIJ

Crystal structure of E. coli ThrS catalytic domain mutant L489M 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 (B, A)	Threonine--tRNA ligase	polymer	410	47945.6	2	UniProt (A0A8S7FUD7) Pfam (PF00587) Pfam (PF03129) UniProt (by SIFTS) (P0A8M3)	Escherichia coli	Threonyl-tRNA synthetase,ThrRS
2	C, E (B, A)	N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine	non-polymer		376.3	2	Chemie (X5V)
3	D, F (B, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H (B, A)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 241	-	initiating methionine
Met 489	Leu 489	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	95891.1
Non-Polymers*	Number of molecules	4
	Total formula weight	883.5
All*	Total formula weight	96774.6

*Water molecules are not included.