4II4

The Phenylacetyl-CoA monooxygenase - mutant PaaA E49Q K68Q - PaaC wild type subcomplex with benzoyl-CoA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	1,2-phenylacetyl-CoA epoxidase, subunit A	polymer	311	35786.5	1	UniProt (P76077) Pfam (PF05138)	Escherichia coli	1,2-phenylacetyl-CoA epoxidase, catalytic subunit alpha, 1,2-phenylacetyl-CoA monooxygenase, subunit A
2	B, C (B, C)	1,2-phenylacetyl-CoA epoxidase, subunit C	polymer	259	29109.6	2	UniProt (P76079) Pfam (PF05138)	Escherichia coli	1,2-phenylacetyl-CoA epoxidase, structural subunit beta, 1,2-phenylacetyl-CoA monooxygenase, subunit C
3	D (A)	benzoyl coenzyme A	non-polymer		871.6	1	Chemie (BYC)
4	E, F, G (A, B, C)	water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 2 - 309 (UniProt: P76077)

PDB	External Database	Details
Met -1	-	expression tag
Arg 0	-	expression tag
Ser 1	-	expression tag
Gln 49	Glu 49	engineered mutation
Gln 68	Lys 68	engineered mutation

B, C: 2 - 248 (UniProt: P76079)

PDB	External Database	Details
Met -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	94005.8
Non-Polymers*	Number of molecules	1
	Total formula weight	871.6
All*	Total formula weight	94877.4

*Water molecules are not included.