Structure of PDB 3pvn Chain Q Binding Site BS01

Receptor Information
>3pvn Chain Q (length=206) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTDMSRKAFVFPKESDTSYVSLKAPLTKPLKAFTVCLHFYTELSSTRGYS
IFSYATKRQDNEILIFWSKDIGYSFTVGGSEILFEVPEVTVAPVHICTSW
ESASGIVEFWVDGKPRVRKSLKKGYTVGAEASIILGQEQDSFGGNFEGSQ
SLVGDIGNVNMWDFVLSPDEINTIYLGGPFSPNVLNWRALKYEVQGEVFT
KPQLWP
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 chain3pvn Chain Q Residue 5033 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pvn A Staggered Decameric Assembly of Human C-Reactive Protein Stabilized by Zinc Ions Revealed by X-ray Crystallography.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		E138 D140 Q150
Binding residue
(residue number reindexed from 1)		E138 D140 Q150
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001849 complement component C1q complex binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0030169 low-density lipoprotein particle binding
GO:0033265 choline binding
GO:0042802 identical protein binding
GO:0046790 virion binding
GO:0046872 metal ion binding
GO:0050750 low-density lipoprotein particle receptor binding
Biological Process
GO:0006953 acute-phase response
GO:0006954 inflammatory response
GO:0008228 opsonization
GO:0010628 positive regulation of gene expression
GO:0010745 negative regulation of macrophage derived foam cell differentiation
GO:0010888 negative regulation of lipid storage
GO:0032677 regulation of interleukin-8 production
GO:0032930 positive regulation of superoxide anion generation
GO:0032945 negative regulation of mononuclear cell proliferation
GO:0042310 vasoconstriction
GO:0045087 innate immune response
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pvn, PDBe:3pvn, PDBj:3pvn
PDBsum3pvn
PubMed25552313
UniProtP02741|CRP_HUMAN C-reactive protein (Gene Name=CRP)

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