Structure of PDB 1gqm Chain D Binding Site BS01

Receptor Information
>1gqm Chain D (length=87) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKLEEHLEGIVNIFHQYSVRKGHFDTLSKGELKQLLTKELANTIKNIKDK
AVIDEIFQGLDANQDEQVDFQEFISLVAIALKAAHYH
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 chain1gqm Chain D Residue 1088 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gqm The Structure of S100A12 in a Hexameric Form and its Proposed Role in Receptor Signalling
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S18 K21 H23 T26 E31
Binding residue
(residue number reindexed from 1)		S18 K21 H23 T26 E31
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:1gqm, PDBe:1gqm, PDBj:1gqm
PDBsum1gqm
PubMed11856825
UniProtP80511|S10AC_HUMAN Protein S100-A12 (Gene Name=S100A12)

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