5N5U

Structure of p-boronophenylalanyl tRNA synthetase in complex with p-boronophenylalanine and adenosine monophosphate

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	35976.7	1	UniProt (Q57834) Pfam (PF00579)	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440)	Tyrosyl-tRNA synthetase,TyrRS
2	B (A)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
3	C (A)	4-Borono-L-phenylalanine	non-polymer		209.0	1	Chemie (7N8)
4	D, E, F (A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	G (A)	water	water		18.0	221	Chemie (HOH)

Sequence modifications

A: 1 - 306 (UniProt: Q57834)

PDB	External Database	Details
Leu 6	Met 6	engineered mutation
Ser 32	Tyr 32	engineered mutation
Ala 65	Leu 65	engineered mutation
Met 70	His 70	engineered mutation
Ser 158	Asp 158	engineered mutation
Glu 162	Leu 162	engineered mutation
Arg 286	Asp 286	engineered mutation
Ser 307	-	expression tag
Ala 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	35976.7
Non-Polymers*	Number of molecules	5
	Total formula weight	662.6
All*	Total formula weight	36639.3

*Water molecules are not included.