4BW9

PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP

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	33338.1	1	UniProt (Q8PWY1) Pfam (PF01409) In PDB	METHANOSARCINA MAZEI	PYRROLYSINE--TRNA(PYL) LIGASE, PYRROLYSYL-TRNA SYNTHETASE, PYLRS
2	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
4	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6		water	water		18.0	44	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
Gly 306	Tyr 306	engineered mutation
Phe 384	Tyr 384	engineered mutation
Arg 405	Ile 405	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33338.1
Non-Polymers*	Number of molecules	8
	Total formula weight	1041.4
All*	Total formula weight	34379.5

*Water molecules are not included.