Structure of PDB 7pkh Chain I Binding Site BS03

Receptor Information
>7pkh Chain I (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 IDPC
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKeyYHHSONZFOIEMCP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC[N+](C)(C)C
CACTVS 3.341C[N+](C)(C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOP(=O)(O)O
FormulaC5 H15 N O4 P
NamePHOSPHOCHOLINE
ChEMBLCHEMBL1235161
DrugBankDB03945
ZINCZINC000001532692
PDB chain7pkh Chain I Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pkh Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N61 F66 E138 D140
Binding residue
(residue number reindexed from 1)		N61 F66 E138 D140
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:7pkh, PDBe:7pkh, PDBj:7pkh
PDBsum7pkh
PubMed34975846
UniProtP02741|CRP_HUMAN C-reactive protein (Gene Name=CRP)

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