Structure of PDB 1odb Chain B Binding Site BS04

Receptor Information
>1odb Chain B (length=91) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STKLEEHLEGIVNIFHQYSVRKGHFDTLSKGELKQLLTKELANTIKNIKD
KAVIDEIFQGLDANQDEQVDFQEFISLVAIALKAAHYHTHK
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 chain1odb Chain B Residue 1093 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1odb Structure of the Human S100A12-Copper Complex: Implications for Host-Parasite Defence
Resolution2.19 Å
Binding residue
(original residue number in PDB)		D61 N63 D65 Q67 E72
Binding residue
(residue number reindexed from 1)		D62 N64 D66 Q68 E73
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0050786 RAGE receptor binding
Biological Process
GO:0002548 monocyte chemotaxis
GO:0006805 xenobiotic metabolic process
GO:0006954 inflammatory response
GO:0030593 neutrophil chemotaxis
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043406 positive regulation of MAP kinase activity
GO:0043542 endothelial cell migration
GO:0045087 innate immune response
GO:0045576 mast cell activation
GO:0050729 positive regulation of inflammatory response
GO:0050832 defense response to fungus
GO:0051092 positive regulation of NF-kappaB transcription factor activity
GO:0061844 antimicrobial humoral immune response mediated by antimicrobial peptide
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0034774 secretory granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1odb, PDBe:1odb, PDBj:1odb
PDBsum1odb
PubMed12777802
UniProtP80511|S10AC_HUMAN Protein S100-A12 (Gene Name=S100A12)

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