8OU8

Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D, A	Threonine--tRNA ligase	polymer	411	47998.6	2	UniProt (B7M1C7) Pfam (PF00587) Pfam (PF03129) UniProt (by SIFTS) (P0A8M3) In PDB	Escherichia coli IAI1	Threonyl-tRNA synthetase,ThrRS
2	D, A	[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid	non-polymer		431.3	2	Chemie (W0U)
3	D, A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
4	D, A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		water	water		18.0	217	Chemie (HOH)

Sequence modifications

D, A: 1 - 401 (UniProt: B7M1C7)

PDB	External Database	Details
Met -1	-	initiating methionine
Ala 0	-	expression tag
Leu 402	-	expression tag
Glu 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag
His 408	-	expression tag
His 409	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95997.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1273.9
All*	Total formula weight	97271.1

*Water molecules are not included.