8PB3

PsiM in complex with SAH and norbaeocystin, monoclinic crystal form

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)	Psilocybin synthase	polymer	322	35889.6	2	UniProt (P0DPA9) Pfam (PF05971)	Psilocybe cubensis	Psilocybin biosynthesis methyltransferase
2	C, I (A, B)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	D, J (A, B)	Norbaeocystin	non-polymer		256.2	2	Chemie (XP6)
4	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	F, G, H, K (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	L, M (A, B)	water	water		18.0	713	Chemie (HOH)

Sequence modifications

A, B: 1 - 309 (UniProt: P0DPA9)

PDB	External Database	Details
Gly -12	-	expression tag
Ser -11	-	expression tag
His -10	-	expression tag
Met -9	-	expression tag
Ala -8	-	expression tag
Ser -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71779.2
Non-Polymers*	Number of molecules	9
	Total formula weight	1413.9
All*	Total formula weight	73193.0

*Water molecules are not included.