Structure of PDB 3q08 Chain S Binding Site BS01

Receptor Information
>3q08 Chain S (length=241) Species: 159087 (Dechloromonas aromatica RCB) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIERGTILTQPGVFGVFTMFKLRPDWNKVPVAERKGAAEEVKKLIEKHKD
NVLVDLYLTRGLETNSDFFFRINAYDLAKAQTFMREFRSTTVGKNADVFE
TLVGVTKPLNYISKDKSPGLNAGLSSATYSGPAPRYVIVIPVKKNAEWWN
MSPEERLKEMEVHTTPTLAYLVNVKRKLYHSTGLDDTDFITYFETDDLTA
FNNLMLSLAQVKENKFHVRWGSPTTLGTIHSPEDVIKALAD
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3q08 Chain S Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3q08 Structural features promoting dioxygen production by Dechloromonas aromatica chlorite dismutase.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		E70 T231
Binding residue
(residue number reindexed from 1)		E63 T224
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.49: chlorite O2-lyase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050587 chlorite O2-lyase activity
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3q08, PDBe:3q08, PDBj:3q08
PDBsum3q08
PubMed20386942
UniProtQ47CX0|CLD_DECAR Chlorite dismutase (Gene Name=Daro_2580)

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