Structure of PDB 1si8 Chain C Binding Site BS01

Receptor Information
>1si8 Chain C (length=474) Species: 226185 (Enterococcus faecalis V583) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHLTTSQGSPVGDNQNSLTAGEFGPVLIQDVHLLEKLAHFNRERVPERVV
HAKGAGAHGIFKVSQSMAQYTKADFLSEVGKETPLFARFSTVAGELGSSD
TLRDPRGFALKFYTDEGNYDLVGNNTPIFFIRDAIKFPDFIHSQKRNPRT
HLKSPEAVWDFWSHSPESLHQVTILMSDRGIPLSFRHMHGFGSHTFKWVN
AAGEVFFVKYHFKTNQGIKNLESQLAEEIAGKNPDFHIEDLHNAIENQEF
PSWTLSVQIIPYADALTMKETLFDVTKTVSQKEYPLIEVGTMTLNRNPEN
YFAEVEQVTFSPGNFVPGIEASPDKLLQGRLFAYGDAHRHRVGANSHQLP
INQAKAPVNNYQKDGNMRFNNGNSEINYEPNSYTETPKEDPTAKISSFEV
EGNVGNYSYNQDHFTQANALYNLLPSEEKENLINNIAASLGQVKNQEIIA
RQIDLFTRVNPEYGARVAQAIKQQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1si8 Chain C Residue 2007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1si8 The three-dimensional structure of catalase from Enterococcus faecalis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R182 H192
Binding residue
(residue number reindexed from 1)		R179 H189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H54 N127 S314
Catalytic site (residue number reindexed from 1) H51 N124 S311
Enzyme Commision number 1.11.1.6: catalase.
Gene Ontology
Molecular Function
GO:0004096 catalase activity
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006979 response to oxidative stress
GO:0042542 response to hydrogen peroxide
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1si8, PDBe:1si8, PDBj:1si8
PDBsum1si8
PubMed15272159
UniProtQ834P5

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