Brand  (β version)

PDB ID: 2W0A

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Ligands
Code Name Style Show Link
CII N-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
Non-standard Residues
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Structure summary

Code : 2W0A   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Release Data : 2009-01-20
Compound :
mol_id molecule chains synonym
1 CYTOCHROME P450 51 A CYP51, CYPLI, P450-LIA1, STEROL 14-ALPHA DEMETHYLASE, LANOSTEROL 14-ALPHA DEMETHYLASE, P450-14DM
ec: 1.14.13.70
mutation: YES
other_details: 4XHIS TAG AT THE C-TERMINUS
Source :
mol_id organism_scientific expression_system
1 MYCOBACTERIUM TUBERCULOSIS  (taxid:83332) ESCHERICHIA COLI  (taxid:562)
strain: H37RV
expression_system_strain: HMS174(DE3)
expression_system_vector: PET
expression_system_plasmid: PET17B
Authors : Podust, L.M.
Keywords : STEROID BIOSYNTHESIS, PROTEIN-INHIBITOR COMPLEX, METAL-BINDING, OXIDOREDUCTASE, LIPID SYNTHESIS, NADP, IRON, HEME, CYTOPLASM, MONOOXYGENASE, STEROL BIOSYNTHESIS
Exp. method : X-RAY DIFFRACTION ( 1.60 Å )
Citation :

Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.

Chen, C.-K.,Doyle, P.S.,Yermalitskaya, L.V.  et al.
(2009)  Plos Negl Trop Dis  3 : E372

PubMed: 19190730
DOI: 10.1371/JOURNAL.PNTD.0000372

Reaction

Chain : A
UniProt : P0A512
Reaction : -