9KLX

The complex structure of XhnM1 and Xinhaicarcin BG

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Class I SAM-dependent methyltransferase	polymer	304	32075.9	1	UniProt (A0A3R7FZU3) Pfam (PF13649)	Streptomyces xinghaiensis
2	B, C, D, E (A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
3	F (A)	(S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide	non-polymer		701.7	1	Chemie (A1EKQ)
4	G (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	H (A)	water	water		18.0	104	Chemie (HOH)

Sequence modifications

A: 1 - 283 (UniProt: A0A3R7FZU3)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Ala 215	Val 215	conflict
Val 240	Ala 240	conflict
Asp 264	Glu 264	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	32075.9
Non-Polymers*	Number of molecules	6
	Total formula weight	902.5
All*	Total formula weight	32978.5

*Water molecules are not included.