Structure of PDB 7vrd Chain B Binding Site BS01

Receptor Information
>7vrd Chain B (length=435) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYATKIHARYVYDSRGNPTVEVDFTTDKGLFRSIVPSGVHEALELRDGDK
SKWLGKGVLKAVANVNDIIAPALIKAKIDVVDQAKIDEFLLSLDGTPNKS
KLGANAILGVSLAAANAAAAAQGIPLYKHIANISNAKKGKFVLPVPFQNV
LNGGSHAGGALAFQEFMIAPTGVSTFSEALRIGSEVYHNLKSLTKKKYGQ
SAGNVGDEGGVAPDIKTPKEALDLIMDAIDKAGYKGKVGIAMDVASSEFY
KDGKYDLDFKNPESDPSKWLSGPQLADLYEQLISEYPIVSIEDPFAEDDW
DAWVHFFERVGDKIQIVGDDLTVTNPTRIKTAIEKKAANALLLKVNQIGT
LTESIQAANDSYAAGWGVMVSHRSGETEDTFIADLSVGLRSGQIKTGAPA
RSERLAKLNQILRIEEELGSEAIYAGKDFQKASQL
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 chain7vrd Chain B Residue 501 [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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PDB7vrd Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D248 E297 D324
Binding residue
(residue number reindexed from 1)		D243 E292 D319
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003810 protein-glutamine gamma-glutamyltransferase activity
GO:0004634 phosphopyruvate hydratase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0030985 high molecular weight kininogen binding
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0006696 ergosterol biosynthetic process
GO:0030447 filamentous growth
GO:0036180 filamentous growth of a population of unicellular organisms in response to biotic stimulus
GO:0042730 fibrinolysis
GO:0044409 symbiont entry into host
GO:0052553 symbiont-mediated perturbation of host immune response
GO:0071852 fungal-type cell wall organization or biogenesis
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009277 fungal-type cell wall
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030445 yeast-form cell wall
GO:0030446 hyphal cell wall
GO:0062040 fungal biofilm matrix
GO:1903561 extracellular vesicle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7vrd, PDBe:7vrd, PDBj:7vrd
PDBsum7vrd
PubMed35900099
UniProtP30575|ENO1_CANAL Enolase 1 (Gene Name=ENO1)

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