6FE3

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439

Summary for 6FE3

Related6FDI 6FDS 6FDW 6FDX
DescriptorPhosphodiesterase, GUANIDINE, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, ... (8 entities in total)
Functional Keywordsparasitic phosphodiesterase, hydrolase, african trypanosomiasis, sleeping sickness
Biological sourceTrypanosoma brucei
Total number of polymer chains2
Total molecular weight83014.68
Authors
Singh, A.K.,Brown, D.G. (deposition date: 2017-12-28, release date: 2019-04-10)
Primary citation
Salado, I.G.,Moreno, C.,Sakaine, G.,Singh, A.K.,Blaazer, A.R.,Siderius, M.,Matheeussen, A.,Gul, S.,Maes, L.,Leurs, R.,Brown, D.G.,Augustyns, K.
TbrPDEB1 structure with inhibitor NPD-1439
To be published,
Experimental method
X-RAY DIFFRACTION (1.62 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2011 0.3% 0.3% 1.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6fe3
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Molmil generated image of 6fe3
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Molmil generated image of 6fe3
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More Biological unit images

Molmil generated image of 6fe3
no rotation
Molmil generated image of 6fe3
rotated about x axis by 90°
Molmil generated image of 6fe3
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6fe3.pdb2.gz [60.37 KB])
Coordinate files for Biological unit (6fe3.pdb1.gz [62.67 KB])