6UDL

Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700

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 1A1	polymer	491	55944.2	4	UniProt (P04798) Pfam (PF00067)	Homo sapiens (Human)	CYPIA1,Cytochrome P450 form 6,Cytochrome P450-C,Cytochrome P450-P1,Hydroperoxy icosatetraenoate dehydratase
2	E, G, I, J (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H (A, B)	[(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone	non-polymer		379.8	2	Chemie (Q4M)
4	K (B)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

A, B, C, D: 35 - 512 (UniProt: P04798)

PDB	External Database	Details
Met 28	-	expression tag
Ala 29	-	expression tag
Lys 30	-	expression tag
Lys 31	-	expression tag
Thr 32	-	expression tag
Ser 33	-	expression tag
Ser 34	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223776.6
Non-Polymers*	Number of molecules	6
	Total formula weight	3225.6
All*	Total formula weight	227002.3

*Water molecules are not included.