7CBI

Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an 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	47964.5	2	UniProt (V7II86)	Salmonella enterica subsp. enterica serovar Cubana str. 76814	Threonyl-tRNA synthetase,ThrRS
2	C, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, H (A, B)	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate	non-polymer		446.7	2	Chemie (FQU)
4	E (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	F (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	I, J (A, B)	water	water		18.0	725	Chemie (HOH)

Sequence modifications

A, B: 242 - 642 (UniProt: V7II86)

PDB	External Database	Details
Met 240	-	initiating methionine
Gly 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	95929.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1178.4
All*	Total formula weight	97107.5

*Water molecules are not included.