Structure of PDB 1k9k Chain B Binding Site BS01

Receptor Information
>1k9k Chain B (length=89) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACPLDQAIGLLVAIFHKYSGREGDKHTLSKKELKELIQKELTIGSKLQDA
EIARLMEDLDRNKDQEVNFQEYVTFLGALALIYNEALKG
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 chain1k9k Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k9k Crystal structures of S100A6 in the Ca(2+)-free and Ca(2+)-bound states: the calcium sensor mechanism of S100 proteins revealed at atomic resolution.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		S20 E23 D25 T28 E33
Binding residue
(residue number reindexed from 1)		S19 E22 D24 T27 E32
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005523 tropomyosin binding
GO:0008270 zinc ion binding
GO:0015075 monoatomic ion transmembrane transporter activity
GO:0042803 protein homodimerization activity
GO:0044548 S100 protein binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
Biological Process
GO:0007165 signal transduction
GO:0007409 axonogenesis
GO:0034220 monoatomic ion transmembrane transport
GO:0048146 positive regulation of fibroblast proliferation
Cellular Component
GO:0001726 ruffle
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0048471 perinuclear region of cytoplasm
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1k9k, PDBe:1k9k, PDBj:1k9k
PDBsum1k9k
PubMed11937060
UniProtP06703|S10A6_HUMAN Protein S100-A6 (Gene Name=S100A6)

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