Center for Structural Genomics of Infectious Diseases

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Structure of IDP00511

CSGID target: IDP00511
PDB Id: 3RPE (NCBI MMDB)
Authors: G.Minasov,A.Halavaty,L.Shuvalova,I.Dubrovska,J.Winsor,L.Papazisi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)
Responsible person: George Minasov
Responsible lab: Northwestern University
Deposition Date: Apr 26, 2011
Release Date: May 04, 2011

Description: A putative modulator of drug activity (MdaB) from Yersinia pesttis shows 66% homology to MdaB from E. coli, RCSB Protein Data Bank 2AMJ (in complex with FAD) and 2B3D (apo- structure). Authors demonstrated, that MdaB had close structural relation to known members of DT-diaphorase family and suggested that redox cycle formed by this protein protects E. coli from toxic effects of polyketide compounds rather than the oxidative stress of menadione alone as it was proposed earlier. Menadione has been used experimentally as a chemotherapeutic agent for cancer. More recently it was studied as a potential treatment for prostate cancer.
Functional assignment: A putative modulator of drug activity

Ligand code	Name	Ligand type
PEG		crystallization
175	3,5-dihydro-5-methylidene-4h-imidazol-4-on	biological