Structure of PDB 6fl2 Chain A Binding Site BS02

Receptor Information
>6fl2 Chain A (length=299) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQVQSGILPEHCRAAIWIEANLKGDVNALREASKIFVDNVATFQAKFPDA
KLGAVVAFGNNVWRQLSGGEGADELKDFPVYGKGLAPSTQYDLLIHILSA
RHEVNFSVAQAALAAFGDAIDVKEEIHGFRWVEERDLSGFVAGTENPAGE
ETRREVAVIKDGVDAGGSYVFVQRWEHNLKQLNRMSVPDQEMMIGRTKDA
NEEIDGDERPVTSHLSRVDLKEDGKGLKIVRQSLPYGTASGTHGLYFCAY
CARLYNIEQQLLSMFGDTDGKRDAMLRFTKPVTGGYYFAPSLERIQALG
Ligand information
Ligand IDNO2
InChIInChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
InChIKeyIOVCWXUNBOPUCH-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]N=O
OpenEye OEToolkits 1.5.0N(=O)[O-]
FormulaN O2
NameNITRITE ION
ChEMBL
DrugBankDB12529
ZINC
PDB chain6fl2 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fl2 Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		R232 S234 F248
Binding residue
(residue number reindexed from 1)		R231 S233 F247
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.-
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fl2, PDBe:6fl2, PDBj:6fl2
PDBsum6fl2
PubMed30072383
UniProtA0A0W8ATM9

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