5Q04

Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea

Summary for 5Q04

Group depositionHuman liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with allosteric inhibitors (G_1002030)
DescriptorFructose-1,6-bisphosphatase 1, 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide (3 entities in total)
Functional Keywordsd3r docking, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains8
Total molecular weight298728.08
Authors
Ruf, A.,Joseph, C.,Alker, A.,Banner, D.,Tetaz, T.,Benz, J.,Kuhn, B.,Rudolph, M.G.,Yang, H.,Shao, C.,Burley, S.K. (deposition date: 2017-04-18, release date: 2019-01-09, Last modification date: 2019-02-06)
Primary citation
Ruf, A.,Joseph, C.,Alker, A.,Banner, D.,Tetaz, T.,Benz, J.,Kuhn, B.,Rudolph, M.G.
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
To be published,
Experimental method
X-RAY DIFFRACTION (2.502 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2515 0.1% 2.0% 3.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5q04
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Molmil generated image of 5q04
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Molmil generated image of 5q04
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More Biological unit images

Molmil generated image of 5q04
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Molmil generated image of 5q04
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Molmil generated image of 5q04
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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 (5q04.pdb2.gz [411.8 KB])
Coordinate files for Biological unit (5q04.pdb1.gz [409.28 KB])
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