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Structure paper

TitleGaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 51, Page 15008-15011, Year 2015
Publish dateJun 9, 2015 (structure data deposition date)
AuthorsHattie, M. / Ito, T. / Debowski, A.W. / Arakawa, T. / Katayama, T. / Yamamoto, K. / Fushinobu, S. / Stubbs, K.A.
External linksChem. Commun. (Camb. ) / PubMed:26312778
MethodsX-ray diffraction
Resolution1.6 - 2.2 Å
Structure data

PDB-5bxp:
LNBase in complex with LNB-LOGNAc
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5bxr:
LNBase in complex with LNB-NHAcDNJ
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-5bxs:
LNBase in complex with LNB-NHAcCAS
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5bxt:
LNBase in complex with LNB-NHAcAUS
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-GAL:
beta-D-galactopyranose

ChemComp-NOK:
2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN

ChemComp-GC2:
6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE

ChemComp-4WS:
N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide

Source
  • bifidobacterium bifidum jcm 1254 (bacteria)
KeywordsHYDROLASE / TIM barrel / distal gut / Human milk oligosaccharides / Inhibitor

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