3QTC

Crystal structure of the catalytic domain of MmOmeRS, an O-methyl tyrosyl-tRNA synthetase evolved from Methanosarcina mazei PylRS, complexed with O-methyl tyrosine and 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 (A)	Pyrrolysyl-tRNA synthetase	polymer	290	33495.4	1	UniProt (Q8PWY1) Pfam (PF01409)	Methanosarcina mazei (Methanosarcina frisia)	Pyrrolysine-tRNA ligase, PylRS
2	B, C (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D (A)	O-methyl-L-tyrosine	non-polymer		195.2	1	Chemie (0A1)
4	E, F, G, H, I (A)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	J (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
6	K (A)	water	water		18.0	235	Chemie (HOH)

Sequence modifications

A: 185 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met 165	-	expression tag
Lys 166	-	expression tag
His 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
His 174	-	expression tag
Gly 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
Gly 184	-	expression tag
Thr 302	Ala 302	engineered mutation
Val 346	Asn 346	engineered mutation
Trp 348	Cys 348	engineered mutation
Phe 384	Tyr 384	engineered mutation
Leu 401	Val 401	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33495.4
Non-Polymers*	Number of molecules	9
	Total formula weight	1060.4
All*	Total formula weight	34555.8

*Water molecules are not included.