Structure of PDB 8sjc Chain B Binding Site BS01

Receptor Information
>8sjc Chain B (length=86) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTELEKALNSIIDVYHKYSLIKGNFHAVYRDDLKKLLETESPQYIRKKG
ADVWFKELDINTDGAVNFQEFLILVIKMGVAAHKKS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8sjc Chain B Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sjc Crystal structure of Zn2+ bound calprotectin
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S20 K23 N25 A28
Binding residue
(residue number reindexed from 1)		S20 K23 N25 A28
Annotation score4
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008017 microtubule binding
GO:0008270 zinc ion binding
GO:0035662 Toll-like receptor 4 binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0050544 arachidonate binding
GO:0050786 RAGE receptor binding
Biological Process
GO:0002523 leukocyte migration involved in inflammatory response
GO:0002544 chronic inflammatory response
GO:0002790 peptide secretion
GO:0002793 positive regulation of peptide secretion
GO:0006914 autophagy
GO:0006915 apoptotic process
GO:0006919 activation of cysteine-type endopeptidase activity involved in apoptotic process
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0010043 response to zinc ion
GO:0014002 astrocyte development
GO:0018119 peptidyl-cysteine S-nitrosylation
GO:0030307 positive regulation of cell growth
GO:0030593 neutrophil chemotaxis
GO:0032119 sequestering of zinc ion
GO:0032496 response to lipopolysaccharide
GO:0034121 regulation of toll-like receptor signaling pathway
GO:0035425 autocrine signaling
GO:0042742 defense response to bacterium
GO:0045087 innate immune response
GO:0045471 response to ethanol
GO:0050729 positive regulation of inflammatory response
GO:0050832 defense response to fungus
GO:0051092 positive regulation of NF-kappaB transcription factor activity
GO:0051493 regulation of cytoskeleton organization
GO:0070488 neutrophil aggregation
GO:2001244 positive regulation of intrinsic apoptotic signaling pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0034774 secretory granule lumen
GO:0045111 intermediate filament cytoskeleton
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:1990660 calprotectin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8sjc, PDBe:8sjc, PDBj:8sjc
PDBsum8sjc
PubMed
UniProtP05109|S10A8_HUMAN Protein S100-A8 (Gene Name=S100A8)

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