8GUE

Crystal Structure of narbomycin-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	Cytochrome P450 monooxygenase PikC	polymer	424	47219.6	2	UniProt (O87605) Pfam (PF00067) In PDB	Streptomyces venezuelae	Cytochrome P450 monooxygenase PicK,Narbomycin C-12 hydroxylase,Pikromycin synthase CYP107L1
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	NARBOMYCIN	non-polymer		509.7	2	Chemie (NRB)
4	A, B	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
5	A	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
6	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
8		water	water		18.0	301	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	94439.2
Non-Polymers*	Number of molecules	20
	Total formula weight	3767.5
All*	Total formula weight	98206.7

*Water molecules are not included.