Structure of PDB 1b3a Chain B Binding Site BS01

Receptor Information
>1b3a Chain B (length=67) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYSSDTTPCCFAYIARPLPRAHIKEYFYTSGKCSNPAVVFVTRKNRQVCA
NPEKKWVREYINSLEMS
Ligand information
Ligand IDAOP
InChIInChI=1S/C7H15NO2/c1-2-3-4-7-10-8-5-6-9/h6,8H,2-5,7H2,1H3
InChIKeyPKNNPRVGISCRDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCONCC=O
ACDLabs 10.04O=CCNOCCCCC
FormulaC7 H15 N O2
NamePENTYLOXYAMINO-ACETALDEHYDE
ChEMBL
DrugBank
ZINCZINC000006397287
PDB chain1b3a Chain A Residue 1 [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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PDB1b3a Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C11 F12 A13 Y14 N36
Binding residue
(residue number reindexed from 1)		C10 F11 A12 Y13 N35
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004435 phosphatidylinositol phospholipase C activity
GO:0004672 protein kinase activity
GO:0005125 cytokine activity
GO:0005515 protein binding
GO:0008009 chemokine activity
GO:0016004 phospholipase activator activity
GO:0030298 receptor signaling protein tyrosine kinase activator activity
GO:0031726 CCR1 chemokine receptor binding
GO:0031729 CCR4 chemokine receptor binding
GO:0031730 CCR5 chemokine receptor binding
GO:0042056 chemoattractant activity
GO:0042379 chemokine receptor binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046817 chemokine receptor antagonist activity
GO:0048020 CCR chemokine receptor binding
Biological Process
GO:0002407 dendritic cell chemotaxis
GO:0002548 monocyte chemotaxis
GO:0002676 regulation of chronic inflammatory response
GO:0006816 calcium ion transport
GO:0006874 intracellular calcium ion homeostasis
GO:0006887 exocytosis
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0007159 leukocyte cell-cell adhesion
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007267 cell-cell signaling
GO:0009615 response to virus
GO:0009636 response to toxic substance
GO:0010759 positive regulation of macrophage chemotaxis
GO:0010820 positive regulation of T cell chemotaxis
GO:0014911 positive regulation of smooth muscle cell migration
GO:0030335 positive regulation of cell migration
GO:0031328 positive regulation of cellular biosynthetic process
GO:0031584 activation of phospholipase D activity
GO:0033634 positive regulation of cell-cell adhesion mediated by integrin
GO:0034097 response to cytokine
GO:0034112 positive regulation of homotypic cell-cell adhesion
GO:0034612 response to tumor necrosis factor
GO:0035689 chemokine (C-C motif) ligand 5 signaling pathway
GO:0042102 positive regulation of T cell proliferation
GO:0042119 neutrophil activation
GO:0042327 positive regulation of phosphorylation
GO:0043922 negative regulation by host of viral transcription
GO:0044344 cellular response to fibroblast growth factor stimulus
GO:0045070 positive regulation of viral genome replication
GO:0045071 negative regulation of viral genome replication
GO:0045089 positive regulation of innate immune response
GO:0045744 negative regulation of G protein-coupled receptor signaling pathway
GO:0045745 positive regulation of G protein-coupled receptor signaling pathway
GO:0045785 positive regulation of cell adhesion
GO:0045948 positive regulation of translational initiation
GO:0048245 eosinophil chemotaxis
GO:0048246 macrophage chemotaxis
GO:0048661 positive regulation of smooth muscle cell proliferation
GO:0050673 epithelial cell proliferation
GO:0050679 positive regulation of epithelial cell proliferation
GO:0050796 regulation of insulin secretion
GO:0050863 regulation of T cell activation
GO:0050918 positive chemotaxis
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051928 positive regulation of calcium ion transport
GO:0060326 cell chemotaxis
GO:0061844 antimicrobial humoral immune response mediated by antimicrobial peptide
GO:0070098 chemokine-mediated signaling pathway
GO:0070100 negative regulation of chemokine-mediated signaling pathway
GO:0070233 negative regulation of T cell apoptotic process
GO:0070234 positive regulation of T cell apoptotic process
GO:0071346 cellular response to type II interferon
GO:0071347 cellular response to interleukin-1
GO:0071356 cellular response to tumor necrosis factor
GO:0090026 positive regulation of monocyte chemotaxis
GO:0097696 cell surface receptor signaling pathway via STAT
GO:0098586 cellular response to virus
GO:1904894 positive regulation of receptor signaling pathway via STAT
GO:2000110 negative regulation of macrophage apoptotic process
GO:2000406 positive regulation of T cell migration
GO:2000503 positive regulation of natural killer cell chemotaxis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1b3a, PDBe:1b3a, PDBj:1b3a
PDBsum1b3a
PubMed9889151
UniProtP13501|CCL5_HUMAN C-C motif chemokine 5 (Gene Name=CCL5)

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