8JMR

Crystal structure of hinokiresinol synthase in complex with 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Hinokiresinol synthase alpha subunit	polymer	180	20176.4	1	UniProt (A9CQD3) Pfam (PF14299)	Asparagus officinalis (garden asparagus)
2	B (B)	Hinokiresinol synthase beta subunit	polymer	198	22212.5	1	UniProt (A9CQD5) Pfam (PF14299)	Asparagus officinalis (garden asparagus)
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one	non-polymer		294.3	1	Chemie (UR0)
5	E, F (A, B)	water	water		18.0	193	Chemie (HOH)

Sequence modifications

B: 1 - 177 (UniProt: A9CQD5)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42388.8
Non-Polymers*	Number of molecules	2
	Total formula weight	390.4
All*	Total formula weight	42779.2

*Water molecules are not included.