6AHS

Mouse Kallikrein 7 in complex with imidazolinylindole derivative

Summary for 6AHS

DescriptorKallikrein-7, 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... (5 entities in total)
Functional Keywordsprotease, hydrolase
Biological sourceMus musculus (Mouse)
Total number of polymer chains1
Total molecular weight25218.27
Authors
Sugawara, H. (deposition date: 2018-08-20, release date: 2019-01-02, Last modification date: 2019-01-23)
Primary citation
Murafuji, H.,Muto, T.,Goto, M.,Imajo, S.,Sugawara, H.,Oyama, Y.,Minamitsuji, Y.,Miyazaki, S.,Murai, K.,Fujioka, H.
Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29:334-338, 2019
PubMed: 30522951 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2018.11.011
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.75 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21630 0.5% 4.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6ahs
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Molmil generated image of 6ahs
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Molmil generated image of 6ahs
rotated about y axis by 90°