Structure of PDB 2h2k Chain B Binding Site BS02

Receptor Information
>2h2k Chain B (length=93) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEPLTELEESIETVVTTFFTFARQEGRKDSLSVNEFKELVTQQLPHLLKD
VGSLDEKMKSLDVNQDSELKFNEYWRLIGELAKEIRKKKDLKI
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 chain2h2k Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h2k Crystal structure study on human S100A13 at 2.0 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D64 N66 D68 E70 E75
Binding residue
(residue number reindexed from 1)		D62 N64 D66 E68 E73
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:0008289 lipid binding
GO:0017134 fibroblast growth factor binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0050786 RAGE receptor binding
Biological Process
GO:0001819 positive regulation of cytokine production
GO:0008284 positive regulation of cell population proliferation
GO:0015031 protein transport
GO:0032730 positive regulation of interleukin-1 alpha production
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043303 mast cell degranulation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2h2k, PDBe:2h2k, PDBj:2h2k
PDBsum2h2k
PubMed17374362
UniProtQ99584|S10AD_HUMAN Protein S100-A13 (Gene Name=S100A13)

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