2ZIO

Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with AlocLys-AMP and PNP

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	291	33344.2	1	UniProt (Q8PWY1) Pfam (PF01409) In PDB	Methanosarcina mazei	Pyrrolysine--tRNA ligase, PylRS
2	A	IMIDODIPHOSPHORIC ACID	non-polymer		177.0	1	Chemie (2PN)
3	A	5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine	non-polymer		561.5	1	Chemie (AYB)
4		water	water		18.0	152	Chemie (HOH)

Sequence modifications

A: 185 - 454 (UniProt: Q8PWY1)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Gly 444	Glu 444	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33344.2
Non-Polymers*	Number of molecules	2
	Total formula weight	738.5
All*	Total formula weight	34082.6

*Water molecules are not included.