6OZ5

Escherichia coli tRNA synthetase in complex with compound 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Phenylalanine--tRNA ligase alpha subunit	polymer	332	37318.2	2	UniProt (A0A387D3L6) Pfam (PF02912) Pfam (PF01409) UniProt (by SIFTS) (P08312) In PDB	Escherichia coli str. K-12 substr. MG1655	Phenylalanyl-tRNA synthetase alpha subunit,PheRS
2	B, D	Phenylalanine--tRNA ligase beta subunit	polymer	795	87483.0	2	UniProt (A0A387D0Y5) Pfam (PF01588) Pfam (PF03483) Pfam (PF03484) Pfam (PF17759) Pfam (PF03147) UniProt (by SIFTS) (P07395) In PDB	Escherichia coli str. K-12 substr. MG1655	Phenylalanyl-tRNA synthetase beta subunit,PheRS
3	A, C	2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol	non-polymer		247.4	2	Chemie (VB3)
4	A, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	B, D	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
6	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	D	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8		water	water		18.0	301	Chemie (HOH)

Sequence modifications

A, C: 2 - 327 (UniProt: A0A387D3L6)

PDB	External Database	Details
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	249602.4
Non-Polymers*	Number of molecules	14
	Total formula weight	1296.2
All*	Total formula weight	250898.6

*Water molecules are not included.