4M6Y

Mutant structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Methyltransferase MppJ	polymer	357	39398.4	2	UniProt (Q643C8) Pfam (PF13649) In PDB	Streptomyces hygroscopicus
2	A, B	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	A, B	(3R)-2-oxo-3-phenylbutanoic acid	non-polymer		178.2	2	Chemie (56D)
4	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	A, B	(2R)-2-hydroxy-3-phenylpropanoic acid	non-polymer		166.2	2	Chemie (HF2)
6	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
7	A, B	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
8		water	water		18.0	328	Chemie (HOH)

Sequence modifications

A, B: 1 - 337 (UniProt: Q643C8)

PDB	External Database	Details
Met -19	-	expression tag
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
Leu 244	Asp 244	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78796.7
Non-Polymers*	Number of molecules	14
	Total formula weight	1793.5
All*	Total formula weight	80590.3

*Water molecules are not included.