5K1X

Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant Y306A/N346A/C348A/Y384F 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	31661.3	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	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	137	Chemie (HOH)

Sequence modifications

A: 188 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met 187	-	initiating methionine
Ala 306	Tyr 306	engineered mutation
Ala 346	Asn 346	engineered mutation
Ala 348	Cys 348	engineered mutation
Phe 384	Tyr 384	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	31661.3
Non-Polymers*	Number of molecules	6
	Total formula weight	758.4
All*	Total formula weight	32419.8

*Water molecules are not included.