2ZCE

Crystal structure of the catalytic domain of pyrrolysyl-tRNA synthetase in complex with pyrrolysine and an ATP analogue

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	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A	PYRROLYSINE	non-polymer		255.3	1	Chemie (PYL)
4	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
5		water	water		18.0	224	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	4
	Total formula weight	810.1
All*	Total formula weight	34154.3

*Water molecules are not included.