4DUB

cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cytochrome P450 BM3 variant 9D7	polymer	472	53980.4	2	UniProt (P14779) Pfam (PF00067) In PDB	Bacillus megaterium	Bifunctional P-450/NADPH-P450 reductase, Cytochrome P450(BM-3), Cytochrome P450BM-3, Cytochrome P450 102, NADPH--cytochrome P450 reductase
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	L-DOPAMINE	non-polymer		153.2	2	Chemie (LDP)
4		water	water		18.0	731	Chemie (HOH)

Sequence modifications

A, B: 0 - 463 (UniProt: P14779)

PDB	External Database	Details
Ala 263	Ile 264	engineered mutation
Ala 268	Thr 269	engineered mutation
Gly 328	Ala 329	engineered mutation
Val 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	107960.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1539.3
All*	Total formula weight	109500.2

*Water molecules are not included.