Structure of PDB 1u4m Chain A Binding Site BS02

Receptor Information
>1u4m Chain A (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 IDUAP
InChIInChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1
InChIKeyVJIMUKBSNUBECH-YKKSOZKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O
CACTVS 3.370O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
CACTVS 3.370O[C@@H]1OC(=C[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1
OpenEye OEToolkits 1.7.6C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O
FormulaC6 H8 O9 S
Name4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid;
4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-2-O-sulfo-L-threo-hex-4-enuronic acid;
4-deoxy-2-O-sulfo-threo-hex-4-enuronic acid
ChEMBL
DrugBankDB03981
ZINCZINC000005834516
PDB chain1u4m Chain C Residue 2 [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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PDB1u4m The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y3 T8
Binding residue
(residue number reindexed from 1)		Y2 T7
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:1u4m, PDBe:1u4m, PDBj:1u4m
PDBsum1u4m
PubMed15530372
UniProtP13501|CCL5_HUMAN C-C motif chemokine 5 (Gene Name=CCL5)

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