Brand  (β version)

PDB ID: 5O4K

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Ligands
Code Name Style Show Link
9KE 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5O4K   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of P450 CYP121 in complex with compound 6b.
Release Data : 2018-03-28
Compound :
mol_id molecule chains synonym
1 Mycocyclosin synthase A Cytochrome P450 121,Cytochrome P450 MT2
ec: 1.14.21.9
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis CDC1551  (taxid:83331) Escherichia coli  (taxid:562)
gene: cyp121, MT2336
expression_system_plasmid: pET11a
Authors : Levy, C.W.
Keywords : Cytochrome P450 Redox Inhibitor, oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.50 Å )
Citation :

Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.

Taban, I.M.,Elshihawy, H.E.A.E.,Torun, B.  et al.
(2017)  J. Med. Chem.  60 : 10257 - 10267

PubMed: 29185746
DOI: 10.1021/acs.jmedchem.7b01562

Reaction

Chain : A
UniProt : P9WPP6 (CP121_MYCTO)
Reaction: EC: Evidence:
Physiological Direction:
cyclo(L-tyrosyl-L-tyrosyl) + 2 reduced [2Fe-2S]-[ferredoxin] + O2 + 2 H(+) = mycoclysin + 2 oxidized [2Fe-2S]-[ferredoxin] + 2 H2O 1.14.19.70 UniProtKB:P9WPP7
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Cofactor: Evidence: Note:
heme ECO:0000250
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