7P8M

Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	S-adenosylmethionine synthase	polymer	426	47401.3	2	UniProt (Q58605) Pfam (PF01941) In PDB	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii)	AdoMet synthase,Methionine adenosyltransferase
2	A, C	TRIPHOSPHATE	non-polymer		258.0	2	Chemie (3PO)
3	A, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	C	4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine	non-polymer		580.6	1	Chemie (6IH)
5		water	water		18.0	476	Chemie (HOH)

Sequence modifications

A, C: 1 - 406 (UniProt: Q58605)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 147	Leu 147	engineered mutation
Ala 351	Ile 351	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94802.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1169.4
All*	Total formula weight	95972.1

*Water molecules are not included.