Structure of PDB 1nm0 Chain A Binding Site BS02

Receptor Information
>1nm0 Chain A (length=476) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKLTTAAGAPVVDNNNVITAGPRGPMLLQDVWFLEKLAHFDREVIPERRM
HAKGSGAFGTFTVTHDITKYTRAKIFSEVGKKTEMFARFSTVAGERGAAD
AERDIRGFALKFYTEEGNWDMVGNNTPVFYLRDPLKFPDLNHIVKRDPRT
NMRNMAYKWDFFSHLPESLHQLTIDMSDRGLPLSYRFVHGFGSHTYSFIN
KDNERFWVKFHFRCQQGIKNLMDDEAEALVGKDRESSQRDLFEAIERGDY
PRWKLQIQIMPEKEASTVPYNPFDLTKVWPHADYPLMDVGYFELNRNPDN
YFSDVEQAAFSPANIVPGISFSPDKMLQGRLFSYGDAHRYRLGVNHHQIP
VNAPKCPFHNYHRDGAMRVDGNSGNGITYEPNSGGVFQEQPDFKEPPLSI
EGAADHWNHREDEDYFSQPRALYELLSDDEHQRMFARIAGELSQASKETQ
QRQIDLFTKVHPEYGAGVEKAIKVLE
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 chain1nm0 Chain A Residue 487 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nm0 Structural studies of Proteus mirabilis catalase in its ground state, oxidized state and in complex with formic acid.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S430 R436
Binding residue
(residue number reindexed from 1)		S427 R433
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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Cellular Component
External links
PDB RCSB:1nm0, PDBe:1nm0, PDBj:1nm0
PDBsum1nm0
PubMed14646074
UniProtP42321|CATA_PROMI Catalase (Gene Name=katA)

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