8C49

Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for 3-Methyl-L-histidine, bound to AMPPNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Pyrrolysyl-tRNA synthetase	polymer	283	31859.1	2	UniProt (M9SC49) Pfam (PF17759)	Candidatus Methanomethylophilus alvus
2	C, Q (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, H, I, J, P... (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
4	E, G, W (A, B)	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
5	F, R, T, V (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	AA, BA, CA, K, L... (B, A)	MAGNESIUM ION	non-polymer		24.3	11	Chemie (MG)
7	DA, EA (A, B)	water	water		18.0	255	Chemie (HOH)

Sequence modifications

A, B: 1 - 275 (UniProt: M9SC49)

PDB	External Database	Details
Ile 125	Leu 125	engineered mutation
Phe 126	Tyr 126	engineered mutation
Gly 129	Met 129	engineered mutation
Phe 168	Val 168	engineered mutation
Phe 206	Tyr 206	engineered mutation
Leu 276	-	expression tag
Glu 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag
His 281	-	expression tag
His 282	-	expression tag
His 283	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63718.3
Non-Polymers*	Number of molecules	27
	Total formula weight	2721.4
All*	Total formula weight	66439.6

*Water molecules are not included.