4CH5

Structure of pyrrolysyl-tRNA synthetase in complex with adenylated propionyl 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	(S)-2-amino-6-propionamidohexanoic(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride	non-polymer		531.5	1	Chemie (YLP)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	A	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP)
6		water	water		18.0	89	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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33416.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1042.1
All*	Total formula weight	34458.3

*Water molecules are not included.