Structure of PDB 6ds2 Chain F Binding Site BS02

Receptor Information
>6ds2 Chain F (length=108) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQNFLKKEN
KNEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASHEKMHEGDEGPGH
HHKPGLGE
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain6ds2 Chain F Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ds2 Biophysical Examination of the Calcium-Modulated Nickel-Binding Properties of Human Calprotectin Reveals Conformational Change in the EF-Hand Domains and His3Asp Site.
Resolution2.1 Å
Binding residue
(original residue number in PDB)
H91 H95 H103 H105
Binding residue
(residue number reindexed from 1)
H88 H92 H100 H102
Annotation score4
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

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Biological Process

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Cellular Component
External links
PDB RCSB:6ds2, PDBe:6ds2, PDBj:6ds2
PDBsum6ds2
PubMed29890074
UniProtP06702|S10A9_HUMAN Protein S100-A9 (Gene Name=S100A9)

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