Structure of PDB 8bzx Chain B Binding Site BS02

Receptor Information
>8bzx Chain B (length=568) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFA
SGLGTVELTVALHYVYNTPFDRLIWDVGHQAYPHKILTGRRDKIGTIRQK
GGLHPFPWRGESEYDVLSVGHSSTSISAGIGVAIAAAKEDKQRRAVCVIG
DGAITAGMAFEAMNHAGDIKPDLLVVLNDNEMSISENVGALNNHGGPGTL
FEELGFNYIGPVDGHDVLGLVSTLKNMRDLKGPQFLHIMTKKGRGYEPAE
KDPITFHAVPKFDHTLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGM
VEFSKKFPDRYFDVAIAEQHAVTFAAGLAIGDYKPVVAIYSTFLQRAYDQ
VIHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSFLRCIPDMVVMTPS
DENECRQMLYTGYHYSDGPCAVRYPRGSGTGATLEPLASLPIGKGVVKRQ
GEKIAILNFGTLLPEAAAVADKLNATLVDMRFVKPLDTALILQLAGEHDA
LVTLEENAIMGGAGSGVNEVLMAHRRAVPVLNIGLPDYFIPQGTQEEIRA
DLGLDAAGIEAKIRDWLA
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 chain8bzx Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bzx Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D152 N181 M183
Binding residue
(residue number reindexed from 1)		D151 N180 M182
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.7: 1-deoxy-D-xylulose-5-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008661 1-deoxy-D-xylulose-5-phosphate synthase activity
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8bzx, PDBe:8bzx, PDBj:8bzx
PDBsum8bzx
PubMed37201323
UniProtA6T5F3|DXS_KLEP7 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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