Structure of PDB 2lp3 Chain B Binding Site BS02

Receptor Information
>2lp3 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]
GSELETAMETLINVFHAHSGKEGDKYKLSKKELKELLQTELSGFLDAQKD
VDAVDKVMKELDENGDGEVDFQEYVVLVAALTVACNNFFWENS
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 chain2lp3 Chain B Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2lp3 Impact of calcium binding and thionylation of S100A1 protein on its nuclear magnetic resonance-derived structure and backbone dynamics.
ResolutionN/A
Binding residue
(original residue number in PDB)		D62 N64 D66 E68 E73
Binding residue
(residue number reindexed from 1)		D62 N64 D66 E68 E73
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0044548 S100 protein binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0051117 ATPase binding
Biological Process
GO:0008016 regulation of heart contraction
GO:0021762 substantia nigra development
GO:0035556 intracellular signal transduction
GO:0051000 positive regulation of nitric-oxide synthase activity
GO:1903672 positive regulation of sprouting angiogenesis
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0016529 sarcoplasmic reticulum
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2lp3, PDBe:2lp3, PDBj:2lp3
PDBsum2lp3
PubMed23351007
UniProtP23297|S10A1_HUMAN Protein S100-A1 (Gene Name=S100A1)

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