Structure of PDB 8hla Chain C Binding Site BS02

Receptor Information
>8hla Chain C (length=215) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVVIGEKFPEVEVKTTHGVIKLPDYFAEQGKWFVLFSHPADCTPVSTTEF
YAMQKRVDQFRELGVEPIGLSVDQVFSHIKWMEWIKENLGEEITFPVIAD
DRGELADKLGMIPSGATITARAVFIVDDKGIIRAIVYYPAEVGRDWDEIL
RLVKALKVSDEKGVALPHKWPNNELIGDKAIVPPASTVDEVKQREEAKAK
GEIESYDWWFSYKKL
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 chain8hla Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8hla Unnaturally Distorted Hexagonal Protein Ring Alternatingly Reorganized from Two Distinct Chemically Modified Proteins.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		T43 K80 W81 W84
Binding residue
(residue number reindexed from 1)		T43 K80 W81 W84
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.24: thioredoxin-dependent peroxiredoxin.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0051920 peroxiredoxin activity
GO:0140824 thioredoxin-dependent peroxiredoxin activity
Biological Process
GO:0045454 cell redox homeostasis
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8hla, PDBe:8hla, PDBj:8hla
PDBsum8hla
PubMed36888722
UniProtQ5JF30|TDXH_THEKO Peroxiredoxin (Gene Name=TK0537)

[Back to BioLiP]