7WG0

Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bifunctional cytochrome P450/NADPH--P450 reductase	polymer	483	55096.6	2	UniProt (A0A1Q8UP87) Pfam (PF00067) UniProt (by SIFTS) (P14779) In PDB	Priestia megaterium
2	A, B	(2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid	non-polymer		403.6	2	Chemie (XPZ)
3	A, B	MANGANESE PROTOPORPHYRIN IX	non-polymer		615.6	2	Chemie (MNH)
4		water	water		18.0	367	Chemie (HOH)

Sequence modifications

A, B: 0 - 456 (UniProt: A0A1Q8UP87)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Pro 401	Ile 402	engineered mutation
Leu 457	-	expression tag
Pro 458	-	expression tag
Ala 459	-	expression tag
Thr 460	-	expression tag
Gly 461	-	expression tag
Gly 462	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	110193.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2038.4
All*	Total formula weight	112231.6

*Water molecules are not included.