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TitleLigand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
Journal, issue, pagesJ. Enzyme. Inhib. Med. Chem., Vol. 30, Page 472-, Year 2015
Publish dateJan 17, 2013 (structure data deposition date)
AuthorsXia, L. / Lin, H. / Staniek, A. / Panjikar, S. / Ruppert, M. / Hilgers, P. / Williardt, J. / Rajendran, C. / Wang, M. / Warzecha, H. ...Xia, L. / Lin, H. / Staniek, A. / Panjikar, S. / Ruppert, M. / Hilgers, P. / Williardt, J. / Rajendran, C. / Wang, M. / Warzecha, H. / Jager, V. / Stockigt, J.
External linksJ. Enzyme. Inhib. Med. Chem. / PubMed:25140865
MethodsX-ray diffraction
Resolution2.4 - 3.01 Å
Structure data

PDB-3zj6:
Crystal of Raucaffricine Glucosidase in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-3zj7:
Crystal structure of strictosidine glucosidase in complex with inhibitor-1
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3zj8:
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
Method: X-RAY DIFFRACTION / Resolution: 3.01 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-VM2:
(1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol

ChemComp-HOH:
WATER

ChemComp-C1K:
(1R,2S,3S,4R,5R)-4-(cyclohexylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol

ChemComp-LR1:
(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol

Source
  • rauvolfia serpentina (serpentwood)
KeywordsHYDROLASE / RG / INHIBITOR / ALKALOID / AJMALINE

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