5Q01

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-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea

Summary for 5Q01

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, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-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 weight299092.94
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-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea
To be published,
Experimental method
X-RAY DIFFRACTION (2.603 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.26760 2.4% 2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 5q01
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Molmil generated image of 5q01
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Molmil generated image of 5q01
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More Biological unit images

Molmil generated image of 5q01
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Molmil generated image of 5q01
rotated about x axis by 90°
Molmil generated image of 5q01
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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 (5q01.pdb2.gz [411.06 KB])
Coordinate files for Biological unit (5q01.pdb1.gz [407.15 KB])
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