8H98

Crystal structure of chemically modified E. coli ThrS catalytic domain 1

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	47927.5	2	UniProt (P0A8M3) Pfam (PF00587) Pfam (PF03129)	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	274	Chemie (HOH)

Sequence modifications

B, A: 242 - 642 (UniProt: P0A8M3)

PDB	External Database	Details
Met 241	-	initiating methionine
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	95855.0
Non-Polymers*	Number of molecules	4
	Total formula weight	883.5
All*	Total formula weight	96738.5

*Water molecules are not included.