6IQ5

Crystal Structure of CYP1B1 and Inhibitor Having Azide Group

Summary for 6IQ5

DescriptorCytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE, 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, ... (4 entities in total)
Functional Keywordscytochrome p450, inhibitor, cyp1b1, azide, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight106085.57
Authors
Kubo, M.,Yamamoto, K.,Itoh, T. (deposition date: 2018-11-06, release date: 2019-01-30)
Primary citation
Kubo, M.,Yamamoto, K.,Itoh, T.
Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone.
Bioorg. Med. Chem., 27:285-304, 2019
PubMed: 30553624 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2018.11.045
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.7 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliers 0.43616 1.7% 11.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 6iq5
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Molmil generated image of 6iq5
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Molmil generated image of 6iq5
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6iq5.pdb1.gz [162.55 KB])
Coordinate files for Biological unit (6iq5.pdb2.gz [152.38 KB])