4S02

Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, F42W, Y79A, and F123Y mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Threonine--tRNA ligase	polymer	151	17433.0	1	UniProt (Q9UZ14) Pfam (PF08915) In PDB	Pyrococcus abyssi GE5	Threonyl-tRNA synthetase, ThrRS
2	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
3		water	water		18.0	69	Chemie (HOH)

Sequence modifications

A: 1 - 143 (UniProt: Q9UZ14)

PDB	External Database	Details
Ala 8	Ser 8	engineered mutation
Bif 11	Ile 11	engineered mutation
Trp 42	Phe 42	engineered mutation
Ala 79	Tyr 79	engineered mutation
Trp 81	Phe 81	engineered mutation
Ile 121	Lys 121	engineered mutation
Tyr 123	Phe 123	engineered mutation
Leu 144	-	expression tag
Glu 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag
His 151	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	17433.0
Non-Polymers*	Number of molecules	3
	Total formula weight	318.4
All*	Total formula weight	17751.4

*Water molecules are not included.