Structure of PDB 7c89 Chain I Binding Site BS02

Receptor Information
>7c89 Chain I (length=244) Species: 272557 (Aeropyrum pernix K1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGSIPLIGERFPEMEVTTDHGVIKLPDHYVSQGKWFVLFSHPADFTPVST
TEFVSFARRYEDFQRLGVDLIGLSVDSVCSHIKWKEWIERHIGVRIPFPI
IADPQGTVARRLGLLHAESATHTVRGVFIVDARGVIRTMLYYPMELGRLV
DEILRIVKALKLGDSLKRAVPADWPNNEIIGEGLIVPPPTTEDQARARME
SGQYRSLDWWFSWDTPASRDDVEEARRYLRRAAEKPAKLLYEEA
Ligand information
Ligand IDFL0
InChIInChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyLIGACIXOYTUXAW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)CBr
CACTVS 3.385BrCC(=O)c1ccccc1
FormulaC8 H7 Br O
Name2-bromanyl-1-phenyl-ethanone
ChEMBLCHEMBL102953
DrugBank
ZINCZINC000000331704
PDB chain7c89 Chain I Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c89 Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V79 C80
Binding residue
(residue number reindexed from 1)		V78 C79
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.24: thioredoxin-dependent peroxiredoxin.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0008379 thioredoxin peroxidase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0051920 peroxiredoxin activity
GO:0140824 thioredoxin-dependent peroxiredoxin activity
Biological Process
GO:0006979 response to oxidative stress
GO:0033554 cellular response to stress
GO:0042744 hydrogen peroxide catabolic process
GO:0045454 cell redox homeostasis
GO:0070301 cellular response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
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:7c89, PDBe:7c89, PDBj:7c89
PDBsum7c89
PubMed33334100
UniProtQ9Y9L0|TDXH_AERPE Peroxiredoxin (Gene Name=APE_2278)

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