Brand  (β version)

PDB ID: 3TIK

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
JKF 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1h-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1h)-one PoSSuM
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Structure summary

Code : 3TIK   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
Release Data : 2012-07-11
Compound :
mol_id molecule chains
1 sterol 14-alpha demethylase (CYP51) A,B,C,D
ec: 1.14.13.70
Source :
mol_id organism_scientific expression_system
1 Trypanosoma brucei  (taxid:5691) Escherichia coli  (taxid:562)
gene: CYP51, Tb11.02.4080
expression_system_strain: HMS174
expression_system_vector_type: plasmid
expression_system_plasmid: pCW
Authors : Hargrove, T.Y., Wawrzak, Z., Kraus, J.M., Gelb, M.H., Buckner, F.S., Waterman, M.R., Lepesheva, G.I.
Keywords : STEROL 14-ALPHA DEMETHYLASE, CYP51, HEME, MONOOXYGENASE, STEROL BIOSYNTHESIS, Cytochrome P450 fold, oxidoreductase, cytochrome P450 reductase, endoplasmic reticulum membrane
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.

Buckner, F.S.,Bahia, M.T.,Suryadevara, P.K.  et al.
(2012)  Antimicrob.Agents Chemother.  56 : 4914 - 4921

PubMed: 22777048
DOI: 10.1128/AAC.06244-11

Reaction

Chain : A, B, C, D
UniProt : Q385E8 (Q385E8_TRYB2)
Reaction : -
Cofactor: Evidence: Note:
heme ECO:0000256 | PIRSR:PIRSR602403-1
-