6DWN

Structure of Human Cytochrome P450 1A1 with Erlotinib

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	Cytochrome P450 1A1	polymer	491	55944.2	4	UniProt (P04798) Pfam (PF00067) In PDB	Homo sapiens (Human)	CYPIA1,Cytochrome P450 form 6,Cytochrome P450-C,Cytochrome P450-P1
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE	non-polymer		393.4	4	Chemie (AQ4)
4	A, B	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	2	Chemie (CPS)
5		water	water		18.0	4	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	10
	Total formula weight	5269.4
All*	Total formula weight	229046.1

*Water molecules are not included.