Structure of PDB 8hfb Chain A Binding Site BS01

Receptor Information
>8hfb Chain A (length=319) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LCTHSLPKEKMPYLLRSGEGERYLFGRQVATVMANGRSTGDLFEIVLLSG
GKGDAFPLHVHKDTHEGILVLDGKLELTLDGERYLLISGDYANIPAGTPH
SYRMQSHRTRLVSYTMKGNVAHLYSVIGNPYDHAEHPPYASEEVSNERFA
EAAAVATIVFLDEAKPACSAKLAELTELPDGAVPYVLESGEGDRLLTGDQ
LHRIVAAQKNTDGQFIVLSSEGPKGDRVVDHYHEYCTETFYCLEGQMTMW
TDGQEIQLNPGDFLHAPANTVHSYRLDSHYTKFVGVVVPGLFEPFFRTLG
DPYEGHIFPCALDLKVMKP
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain8hfb Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hfb Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		H234 H236 E241 H275
Binding residue
(residue number reindexed from 1)		H231 H233 E238 H272
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.24: quercetin 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0008127 quercetin 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:8hfb, PDBe:8hfb, PDBj:8hfb
PDBsum8hfb
PubMed36853654
UniProtP42106|QDOI_BACSU Quercetin 2,3-dioxygenase (Gene Name=qdoI)

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