3PM0

Structural Characterization of the Complex between Alpha-Naphthoflavone and Human Cytochrome P450 1B1 (CYP1B1)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytochrome P450 1B1	polymer	507	56903.9	1	UniProt (Q16678) Pfam (PF00067)	Homo sapiens (human)	CYPIB1
2	B (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	C (A)	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	non-polymer		272.3	1	Chemie (BHF)
4	D (A)	water	water		18.0	33	Chemie (HOH)

Sequence modifications

A: 51 - 543 (UniProt: Q16678)

PDB	External Database	Details
Met 41	-	expression tag
Ala 42	-	expression tag
Lys 43	-	expression tag
Lys 44	-	expression tag
Thr 45	-	expression tag
Ser 46	-	expression tag
Ser 47	-	expression tag
Lys 48	-	expression tag
Gly 49	-	expression tag
Lys 50	-	expression tag
Ser 119	Ala 119	SEE REMARK 999
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56903.9
Non-Polymers*	Number of molecules	2
	Total formula weight	888.8
All*	Total formula weight	57792.7

*Water molecules are not included.