4CH3

Structure of pyrrolysyl-tRNA synthetase in complex with adenylated butyryl lysine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	PYRROLYSINE--TRNA LIGASE	polymer	291	33416.2	1	UniProt (Q8PWY1) Pfam (PF01409) In PDB	METHANOSARCINA MAZEI	PYRROLYSINE--TRNA(PYL) LIGASE, PYRROLYSYL-TRNA SYNTHETASE, PYLRS
2	A	5'-O-({[(2R)-2-amino-6-(butanoylamino)hexanoyl]oxy}phosphinato)adenosine	non-polymer		545.5	1	Chemie (YLB)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5		water	water		18.0	80	Chemie (HOH)

Sequence modifications

A: 185 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met 164	-	expression tag
Gly 165	-	expression tag
Ser 166	-	expression tag
Ser 167	-	expression tag
His 168	-	expression tag
His 169	-	expression tag
His 170	-	expression tag
His 171	-	expression tag
His 172	-	expression tag
His 173	-	expression tag
Ser 174	-	expression tag
Ser 175	-	expression tag
Gly 176	-	expression tag
Leu 177	-	expression tag
Val 178	-	expression tag
Pro 179	-	expression tag
Arg 180	-	expression tag
Gly 181	-	expression tag
Ser 182	-	expression tag
His 183	-	expression tag
Met 184	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33416.2
Non-Polymers*	Number of molecules	7
	Total formula weight	880.1
All*	Total formula weight	34296.4

*Water molecules are not included.