4DUF

cytochrome P450 BM3h-2G9 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, C, D (A, B, C, D)	cytochrome P450 BM3 variant 2G9	polymer	471	53847.3	4	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	E, G, I, K (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, J, L (A, B, C, D)	SEROTONIN	non-polymer		176.2	4	Chemie (SRO)
4	M, N, O, P (A, B, C, D)	water	water		18.0	1099	Chemie (HOH)

Sequence modifications

A, B, C, D: 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
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	4
	Total formula weight	215389.2
Non-Polymers*	Number of molecules	8
	Total formula weight	3170.8
All*	Total formula weight	218560.1

*Water molecules are not included.