4CS4

Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, 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	PYRROLYSYL-TRNA SYNTHETASE	polymer	274	31736.4	1	UniProt (Q8PWY1) Pfam (PF01409) In PDB	METHANOSARCINA MAZEI	PYRROLYSINE--TRNA(PYL) LIGASE, PYRROLYSYL-TRNA SYNTHETASE, PYLRS, PYRROLYSYL-TRNA SYNTHETASE
2	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	20	Chemie (EDO)
4	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	A	2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid	non-polymer		290.3	1	Chemie (AXZ)
6	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7		water	water		18.0	122	Chemie (HOH)

Sequence modifications

A: 188 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met 187	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
His 458	-	expression tag
His 459	-	expression tag
His 460	-	expression tag
Ala 306	Tyr 306	engineered mutation
Phe 384	Tyr 384	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31736.4
Non-Polymers*	Number of molecules	25
	Total formula weight	2181.5
All*	Total formula weight	33917.9

*Water molecules are not included.