Structure of PDB 1y25 Chain B Binding Site BS01

Receptor Information
>1y25 Chain B (length=165) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSQITLRGNAINTVGELPAVGSPAPAFTLTGGDLGVISSDQFRGKSVLLN
IFPSVDTPVSATSVRTFDERAAASGATVLCVSKDLPFAQKRFCGAEGTEN
VMPASAFRDSFGEDYGVTIADGPMAGLLARAIVVIGADGNVAYTELVPEI
AQEPNYEAALAALGA
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain1y25 Chain B Residue 2200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y25 Structure of the inactive variant C60S of Mycobacterium tuberculosis thiol peroxidase
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T57 P58 V59 S60 R130
Binding residue
(residue number reindexed from 1)		T57 P58 V59 S60 R130
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.24: thioredoxin-dependent peroxiredoxin.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005515 protein binding
GO:0008379 thioredoxin peroxidase activity
GO:0015036 disulfide oxidoreductase activity
GO:0016209 antioxidant activity
GO:0016491 oxidoreductase activity
GO:0016684 oxidoreductase activity, acting on peroxide as acceptor
GO:0051920 peroxiredoxin activity
GO:0140824 thioredoxin-dependent peroxiredoxin activity
Biological Process
GO:0006979 response to oxidative stress
GO:0045454 cell redox homeostasis
GO:0051409 response to nitrosative stress
GO:0098754 detoxification
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1y25, PDBe:1y25, PDBj:1y25
PDBsum1y25
PubMed16627951
UniProtP9WG35|TPX_MYCTU Thiol peroxidase (Gene Name=tpx)

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