7XBN

Crystal Structure of YC-17-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238

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)	Cytochrome P450 monooxygenase PikC	polymer	444	49390.9	2	UniProt (O87605) Pfam (PF00067)	Streptomyces venezuelae	Cytochrome P450 monooxygenase PicK,Narbomycin C-12 hydroxylase,Pikromycin synthase CYP107L1
2	C, H (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, I (A, B)	4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE	non-polymer		453.6	2	Chemie (PXI)
4	E, K, L, M (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	F, G, J (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	N, O (A, B)	water	water		18.0	877	Chemie (HOH)

Sequence modifications

A, B: 1 - 416 (UniProt: O87605)

PDB	External Database	Details
Met -19	-	initiating methionine
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
4af 238	His 238	conflict
Leu 417	-	expression tag
Glu 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98781.9
Non-Polymers*	Number of molecules	11
	Total formula weight	2826.9
All*	Total formula weight	101608.8

*Water molecules are not included.