6VLT

Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan

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, E... (A, B, C, D, E...)	Cytochrome P450 2C9	polymer	476	54181.8	8	UniProt (P11712) Pfam (PF00067)	Homo sapiens (Human)	(R)-limonene 6-monooxygenase,(S)-limonene 6-monooxygenase,(S)-limonene 7-monooxygenase,CYPIIC9,Cholesterol 25-hydroxylase,Cytochrome P-450MP,Cytochrome P450 MP-4,Cytochrome P450 MP-8,Cytochrome P450 PB-1,S-mephenytoin 4-hydroxylase
2	BA, GA, I, K, M... (G, H, A, B, C...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	8	Chemie (HEM)
3	CA, HA, J, L, N... (G, H, A, B, C...)	[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol	non-polymer		422.9	8	Chemie (LSN)
4	AA, DA, FA, IA, Q... (G, H, E, F)	5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE	non-polymer		494.6	8	Chemie (CM5)
5	EA, U, Z (G, E, F)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
6	JA, KA, LA, MA, NA... (A, B, C, D, E...)	water	water		18.0	143	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 24 - 490 (UniProt: P11712)

PDB	External Database	Details
Met 19	-	initiating methionine
Ala 20	-	SEE SEQUENCE DETAILS
Lys 21	-	SEE SEQUENCE DETAILS
Lys 22	-	SEE SEQUENCE DETAILS
Thr 23	-	SEE SEQUENCE DETAILS
Cys 144	Arg 144	engineered mutation
Ile 490	Val 490	engineered mutation
His 491	-	SEE SEQUENCE DETAILS
His 492	-	SEE SEQUENCE DETAILS
His 493	-	SEE SEQUENCE DETAILS
His 494	-	SEE SEQUENCE DETAILS

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	433454.1
Non-Polymers*	Number of molecules	27
	Total formula weight	12560.0
All*	Total formula weight	446014.1

*Water molecules are not included.