4BF4

PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino group

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	CYTOCHROME P450 HYDROXYLASE PIKC	polymer	436	48267.8	16	UniProt (O87605) Pfam (PF00067)	STREPTOMYCES VENEZUELAE	CYTOCHROME P450 MONOOXYGENASE
2	AA, CA, EA, HA, KA... (F, G, H, I, J...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	16	Chemie (HEM)
3	BA, FA, GA, IA, JA... (F, H, I, J, A...)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
4	DA, W (G, C)	1.7.6 5-cyclododecyloxy-N,N-dimethyl-pentan-1-amine	non-polymer		297.5	2	Chemie (17Q)
5	AB, BB, CB, DB, EB... (G, H, I, J, K...)	water	water		18.0	514	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 1 - 416 (UniProt: O87605)

PDB	External Database	Details
Met -19	-	expression tag
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
Asn 50	Asp 50	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	772284.1
Non-Polymers*	Number of molecules	30
	Total formula weight	11611.6
All*	Total formula weight	783895.7

*Water molecules are not included.