Structure of PDB 4ayu Chain B Binding Site BS03

Receptor Information
>4ayu Chain B (length=204) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLF
SYNTQGRDNELLVYKERVGEYSLYIGRHKVTSKVIEKFPAPVHICVSWES
SSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSF
VGEIGDLYMWDSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKP
LVWV
Ligand information
Ligand IDN8P
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyGNMSLDIYJOSUSW-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCC[CH]1C(O)=O
ACDLabs 12.01O=C(N1C(C(=O)O)CCC1)C
OpenEye OEToolkits 1.9.2CC(=O)N1CCC[C@@H]1C(=O)O
CACTVS 3.385CC(=O)N1CCC[C@@H]1C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)N1CCCC1C(=O)O
FormulaC7 H11 N O3
NameN-ACETYL-D-PROLINE
ChEMBLCHEMBL3137742
DrugBank
ZINCZINC000000119667
PDB chain4ayu Chain B Residue 499 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ayu Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N59 L62 Y64 Y74 E136 Q148
Binding residue
(residue number reindexed from 1)		N59 L62 Y64 Y74 E136 Q148
Annotation score1
Binding affinityMOAD: Kd=18.6uM
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:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0046790 virion binding
GO:0046872 metal ion binding
GO:0051082 unfolded protein binding
Biological Process
GO:0002674 negative regulation of acute inflammatory response
GO:0006457 protein folding
GO:0006953 acute-phase response
GO:0044869 negative regulation by host of viral exo-alpha-sialidase activity
GO:0044871 negative regulation by host of viral glycoprotein metabolic process
GO:0045087 innate immune response
GO:0045656 negative regulation of monocyte differentiation
GO:0046597 negative regulation of viral entry into host cell
GO:0048525 negative regulation of viral process
GO:0051131 chaperone-mediated protein complex assembly
GO:0061045 negative regulation of wound healing
GO:1903016 negative regulation of exo-alpha-sialidase activity
GO:1903019 negative regulation of glycoprotein metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4ayu, PDBe:4ayu, PDBj:4ayu
PDBsum4ayu
PubMed25084341
UniProtP02743|SAMP_HUMAN Serum amyloid P-component (Gene Name=APCS)

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