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 (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
2	E, H, K, M (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, I, L, N (A, B, C, D)	[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE	non-polymer		393.4	4	Chemie (AQ4) PubChem (176870)
4	G, J (A, B)	3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE	non-polymer		614.9	2	Chemie (CPS) PubChem (16396400) PubChem (18397788) PubChem (177530666) PubChem (24883538) PubChem (50987450) PubChem (51028881) PubChem (51028882) PubChem (53393728) PubChem (44120060) PubChem (58528211) PubChem (44450441) PubChem (53229977) PubChem (457060) PubChem (3659871) PubChem (107670) PubChem (71774074) PubChem (90488808) PubChem (91746229) PubChem (91809267) PubChem (102565428) PubChem (122361936) PubChem (122362044) PubChem (9895216) PubChem (10371606) PubChem (131632459) PubChem (133645855) PubChem (137704711) PubChem (146159681)
5	O, P (A, B)	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.