4DUE

cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin

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 BM3 variant 2G9C6	polymer	471	53862.3	2	UniProt (P14779) Pfam (PF00067)	Bacillus megaterium	Bifunctional P-450/NADPH-P450 reductase, Cytochrome P450(BM-3), Cytochrome P450BM-3, Cytochrome P450 102, NADPH--cytochrome P450 reductase
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	SEROTONIN	non-polymer		176.2	2	Chemie (SRO)
4	G, H (A, B)	water	water		18.0	830	Chemie (HOH)

Sequence modifications

A, B: 1 - 463 (UniProt: P14779)

PDB	External Database	Details
Cys 50	Arg 51	engineered mutation
Leu 87	Phe 88	engineered mutation
Ser 268	Thr 269	engineered mutation
Gln 437	Leu 438	engineered mutation
Leu 438	Thr 439	engineered mutation
Leu 464	-	expression tag
Glu 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag
His 470	-	expression tag
His 471	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107724.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1585.4
All*	Total formula weight	109310.0

*Water molecules are not included.