4HWS

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor

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	411	47998.6	2	UniProt (P0A8M3) Pfam (PF00587) Pfam (PF03129)	Escherichia coli	Threonyl-tRNA synthetase, ThrRS
2	C, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F (A, B)	N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide	non-polymer		435.9	2	Chemie (1B3)
4	G, H (A, B)	water	water		18.0	544	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 240	-	expression tag
Ala 241	-	expression tag
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	95997.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1002.6
All*	Total formula weight	96999.8

*Water molecules are not included.