Structure of PDB 2wc8 Chain D Binding Site BS01

Receptor Information
>2wc8 Chain D (length=93) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSTKLEEHLEGIVNIFHQYSVRKGHFDTLSKGELKQLLTKELANTIKNIK
DKAVIDEIFQGLDANQDEQVDFQEFISLVAIALKAAHYHTHKE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2wc8 Chain C Residue 95 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wc8 The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H85 H89
Binding residue
(residue number reindexed from 1)		H87 H91
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:2wc8, PDBe:2wc8, PDBj:2wc8
PDBsum2wc8
PubMed19501594
UniProtP80511|S10AC_HUMAN Protein S100-A12 (Gene Name=S100A12)

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