5K1P

Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP

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	274	31769.4	1	UniProt (Q8PWY1) Pfam (PF01409) In PDB	Methanosarcina mazei	Pyrrolysine--tRNA(Pyl) ligase,Pyrrolysyl-tRNA synthetase,PylRS
2	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
3	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4		water	water		18.0	273	Chemie (HOH)

Sequence modifications

A: 188 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met 187	-	initiating methionine
Ala 346	Asn 346	engineered mutation
Ala 348	Cys 348	engineered mutation
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31769.4
Non-Polymers*	Number of molecules	3
	Total formula weight	554.8
All*	Total formula weight	32324.2

*Water molecules are not included.