Structure of PDB 8yp3 Chain B Binding Site BS02

Receptor Information
>8yp3 Chain B (length=454) Species: 7108 (Spodoptera frugiperda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMSYDSIFENLNSHGQGHLLKYWPDLSEKERAQLLNDLKKIDFAEVNEL
EDLKPIPDSHYEAVPNLSNEKILEYENIGLREISDGKVGVLLLAGGQATR
LGFGHPKGMYDVGLPSRKTLFQIQAERIVRVQQMAAEKYGKEGKITWYIM
TSEHTRGPTADYFRSHNYFGLNEEDIVYFEQGTLPCFDFEGKIFLDEKYH
VSSAPDGNGGLYRALKNQGVLDDIAKRGVEHLHAHSVDNILIKVADPVFI
GYCKSKNADCAAKVVQKSTPSEAVGVVCRVNGHYKVVEYSELTDEAAESR
TLTFSAGNICNHYFSSEFLTKICNKLKLHVAKKKIPYVDHEGVRQKPTEP
NGIKMEKFIFDVFEFAENFICLEVARDVEFSALKNNDAAKKDCPSTARED
LLRLHRKYVREAGGIVEDNIDVEISPLLSYGGENLTDLVSGEVFTISPYH
LKSM
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8yp3 Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8yp3 Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		N332 C334 H336
Binding residue
(residue number reindexed from 1)		N308 C310 H312
Annotation score1
External links