4PBS

Crystal structure of the M. jannaschii F9 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrosine--tRNA ligase	polymer	314	36015.7	1	UniProt (Q57834) Pfam (PF00579)	Methanocaldococcus jannaschii	Tyrosyl-tRNA synthetase,TyrRS
2	B (A)	4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine	non-polymer		329.2	1	Chemie (2L7)
3	C (A)	water	water		18.0	214	Chemie (HOH)

Sequence modifications

A: 1 - 306 (UniProt: Q57834)

PDB	External Database	Details
Gly 32	Tyr 32	engineered mutation
Glu 65	Leu 65	engineered mutation
Gly 158	Asp 158	engineered mutation
Cys 159	Ile 159	engineered mutation
Leu 307	-	expression tag
Glu 308	-	expression tag
His 309	-	expression tag
His 310	-	expression tag
His 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36015.7
Non-Polymers*	Number of molecules	1
	Total formula weight	329.2
All*	Total formula weight	36344.9

*Water molecules are not included.