Structure of PDB 7c8a Chain A Binding Site BS01

Receptor Information
>7c8a Chain A (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 IDFL3
InChIInChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChIKeyXSAYZAUNJMRRIR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)c1ccc2ccccc2c1
FormulaC12 H10 O
Name1-naphthalen-2-ylethanone
ChEMBLCHEMBL3183700
DrugBank
ZINCZINC000000967335
PDB chain7c8a Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c8a Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S78 C80
Binding residue
(residue number reindexed from 1)		S77 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:7c8a, PDBe:7c8a, PDBj:7c8a
PDBsum7c8a
PubMed33334100
UniProtQ9Y9L0|TDXH_AERPE Peroxiredoxin (Gene Name=APE_2278)

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