Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin

Summary for 4RLT

Related4RLJ 4RLU 4RLW
Descriptor(3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,7,3',4'-TETRAHYDROXYFLAVONE, ... (5 entities in total)
Functional Keywordsdouble hotdog fold, (3r)-hydroxyacyl-acp binding, lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological sourceMycobacterium tuberculosis H37Rv
Total number of polymer chains2
Total molecular weight33297.26
Li, J.,Dong, Y.,Rao, Z.H. (deposition date: 2014-10-18, release date: 2015-10-21, Last modification date: 2017-11-22)
Primary citation
Dong, Y.,Qiu, X.,Shaw, N.,Xu, Y.,Sun, Y.,Li, X.,Li, J.,Rao, Z.
Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors.
Protein Cell, 6:504-517, 2015
PubMed: 26081470 (PDB entries with the same primary citation)
DOI: 10.1007/s13238-015-0181-1
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.1911005.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution