8HKD

Crystal structure of P450BSbeta-L78G/Q85F/F173S/G290I variant in complex with palmitoleic 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 (A, B)	Fatty-acid peroxygenase	polymer	425	49212.1	2	UniProt (O31440) Pfam (PF00067)	Bacillus subtilis	Cytochrome P450 152A1,Cytochrome P450BsBeta,Fatty acid beta-hydroxylase
2	C, G (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, H (A, B)	PALMITOLEIC ACID	non-polymer		254.4	2	Chemie (PAM)
4	E, F, I, J, K... (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	6	Chemie (PEG)
5	M, N (A, B)	water	water		18.0	345	Chemie (HOH)

Sequence modifications

A, B: 3 - 417 (UniProt: O31440)

PDB	External Database	Details
Met 1	-	initiating methionine
Asp 2	-	expression tag
Gly 78	Leu 78	variant
Phe 85	Gln 85	variant
Ser 173	Phe 173	variant
Ile 290	Gly 290	variant
Leu 418	-	expression tag
Glu 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98424.3
Non-Polymers*	Number of molecules	10
	Total formula weight	2378.5
All*	Total formula weight	100802.8

*Water molecules are not included.