4DTW

cytochrome P450 BM3h-8C8 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 (B, A)	Cytochrome P450 BM3 variant 8C8	polymer	469	53666.0	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, F (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (B, A)	SEROTONIN	non-polymer		176.2	2	Chemie (SRO)
4	E (B)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	H, I (B, A)	water	water		18.0	1056	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Pro 75	Leu 76	engineered mutation
Arg 189	Gln 190	engineered mutation
Ala 263	Ile 264	engineered mutation
Ala 268	Thr 269	engineered mutation
Glu 286	Val 287	engineered mutation
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107332.0
Non-Polymers*	Number of molecules	5
	Total formula weight	1609.7
All*	Total formula weight	108941.7

*Water molecules are not included.