6WRQ

Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine

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	36103.9	1	UniProt (Q57834) Pfam (PF00579)	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440)	Tyrosyl-tRNA synthetase,TyrRS
2	B, C (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	E, F (A)	META-NITRO-TYROSINE	non-polymer		226.2	2	Chemie (NIY)
5	G (A)	water	water		18.0	211	Chemie (HOH)

Sequence modifications

A: 1 - 306 (UniProt: Q57834)

PDB	External Database	Details
His 32	Tyr 32	engineered mutation
Cys 70	His 70	engineered mutation
Cys 158	Asp 158	engineered mutation
Ala 159	Ile 159	engineered mutation
Arg 162	Leu 162	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	36103.9
Non-Polymers*	Number of molecules	5
	Total formula weight	659.5
All*	Total formula weight	36763.5

*Water molecules are not included.