Structure of PDB 1irj Chain G Binding Site BS02
Receptor Information
>1irj Chain G (length=84) Species:
9606
(Homo sapiens) [
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CKMSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQNFLKKE
NKNEKVIEHIMEDLDTNADKQLSFEEFIMLMARL
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
1irj Chain G Residue 188 [
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Receptor-Ligand Complex Structure
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PDB
1irj
The crystal structure of human MRP14 (S100A9), a Ca(2+)-dependent regulator protein in inflammatory process.
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D67 N69 D71 Q73 E78
Binding residue
(residue number reindexed from 1)
D65 N67 D69 Q71 E76
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005509
calcium ion binding
GO:0005515
protein binding
GO:0008017
microtubule binding
GO:0008270
zinc ion binding
GO:0016209
antioxidant activity
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: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:0007267
cell-cell signaling
GO:0010976
positive regulation of neuron projection development
GO:0014002
astrocyte development
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:0035606
peptidyl-cysteine S-trans-nitrosylation
GO:0035821
modulation of process of another organism
GO:0042742
defense response to bacterium
GO:0043542
endothelial cell migration
GO:0045087
innate immune response
GO:0045113
regulation of integrin biosynthetic process
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:0060264
regulation of respiratory burst involved in inflammatory response
GO:0061844
antimicrobial humoral immune response mediated by antimicrobial peptide
GO:0070488
neutrophil aggregation
GO:0098869
cellular oxidant detoxification
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:0062023
collagen-containing extracellular matrix
GO:0070062
extracellular exosome
GO:1990660
calprotectin complex
GO:1990662
S100A9 complex
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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1irj
,
PDBe:1irj
,
PDBj:1irj
PDBsum
1irj
PubMed
11851337
UniProt
P06702
|S10A9_HUMAN Protein S100-A9 (Gene Name=S100A9)
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