4PXH

Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E (A, C, E)	P450 monooxygenase	polymer	446	49369.4	3	UniProt (F2YRY7) Pfam (PF00067)	Streptomyces sp. Acta 2897	cytochrome P450 sky32 (CYP163B3)
2	B, D, F (B, D, F)	Peptide synthetase	polymer	90	10186.2	3	UniProt (F2YRY5) Pfam (PF00550)	Streptomyces sp. Acta 2897	PCP7
3	G, I, K (A, C, E)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
4	H, J, L (B, D, F)	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate	non-polymer		452.4	3	Chemie (KH4)
5	M, N, O, P, Q (A, B, C, D, E)	water	water		18.0	73	Chemie (HOH)

Sequence modifications

A, C, E: 1 - 423 (UniProt: F2YRY7)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

B, D, F: 2 - 81 (UniProt: F2YRY5)

PDB	External Database	Details
Ala 82	-	expression tag
Ala 83	-	expression tag
Leu 84	-	expression tag
Glu 85	-	expression tag
His 86	-	expression tag
His 87	-	expression tag
His 88	-	expression tag
His 89	-	expression tag
His 90	-	expression tag
His 91	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	178666.9
Non-Polymers*	Number of molecules	6
	Total formula weight	3206.7
All*	Total formula weight	181873.6

*Water molecules are not included.