Structure of PDB 7oqr Chain B Binding Site BS02

Receptor Information
>7oqr Chain B (length=271) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVTEAPPFDVNSLRRDIEEILSEDMSKGPLFVRLAWHEAGSWDCRKKDGS
PNSASMRFHPECSYAGNKGLDKGRNALESLKKKYPKISYADLWSFAAVVS
IEAMGGPEIPWRWGRVDAKDGSVCGPDGRLPDASRMQDHVRDVFSRLGFN
DEETVALIGAHTCGECHLENTGYVGPFTHDKYGFDNSFFTELFGNEWMLN
PNVKKMQFMDKTTNRLMMLPADVSILLDDKYRSIAKKYADDNDYFCNAFS
KAYQKLLEVGTTDLKSLPAES
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain7oqr Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oqr Crystal structure of Trypanosoma cruzi heme peroxidase and characterization of its substrate specificity and compound I intermediate.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		R89 W92 H93
Binding residue
(residue number reindexed from 1)		R33 W36 H37
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.5: cytochrome-c peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016688 L-ascorbate peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7oqr, PDBe:7oqr, PDBj:7oqr
PDBsum7oqr
PubMed35772495
UniProtQ8I1N3

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