6DYY

Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol

Summary for 6DYY

Descriptor5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, 1,2-ETHANEDIOL, MAGNESIUM ION, ... (5 entities in total)
Functional Keywordsmtan enzyme, duodenal ulcers, stomach cancer, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHelicobacter pylori (Campylobacter pylori)
Total number of polymer chains4
Total molecular weight109808.97
Authors
Harijan, R.K.,Ducati, R.G.,Bonanno, J.B.,Almo, S.C.,Schramm, V.L. (deposition date: 2018-07-02, release date: 2019-03-20, Last modification date: 2019-04-10)
Primary citation
Harijan, R.K.,Hoff, O.,Ducati, R.G.,Firestone, R.S.,Hirsch, B.M.,Evans, G.B.,Schramm, V.L.,Tyler, P.C.
Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 2019
PubMed: 30860833 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01642
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.61 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21120 1.8% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6dyy
no rotation
Molmil generated image of 6dyy
rotated about x axis by 90°
Molmil generated image of 6dyy
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 6dyy
no rotation
Molmil generated image of 6dyy
rotated about x axis by 90°
Molmil generated image of 6dyy
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 (6dyy.pdb1.gz [85.6 KB])
Coordinate files for Biological unit (6dyy.pdb2.gz [84.47 KB])