4B7S

PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate anchoring 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 (A, B)	CYTOCHROME P450 HYDROXYLASE PIKC	polymer	436	48267.8	2	UniProt (O87605) Pfam (PF00067)	STREPTOMYCES VENEZUELAE	PIKC, CYTOCHROME P450 MONOOXYGENASE
2	C, Q (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F, G, H, I... (A, B)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	E, S (A, B)	[(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate	non-polymer		395.5	2	Chemie (QLE)
5	K, L, M, N, O... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
6	V, W (A, B)	water	water		18.0	727	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	96535.5
Non-Polymers*	Number of molecules	19
	Total formula weight	3437.2
All*	Total formula weight	99972.7

*Water molecules are not included.