Structure of PDB 2ra4 Chain B Binding Site BS01

Receptor Information
>2ra4 Chain B (length=65) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DALNVPSTCCFTFSSKKISLQRLKSYVITTSRCPQKAVIFRTKLGKEICA
DPKEKWVQNYMKHLG
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain2ra4 Chain B Residue 79 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ra4 Structure of human monocyte chemoattractant protein 4 (MCP-4/CCL13).
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R24 T44 L46
Binding residue
(residue number reindexed from 1)		R22 T42 L44
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
GO:0005125 cytokine activity
GO:0005515 protein binding
GO:0008009 chemokine activity
GO:0048020 CCR chemokine receptor binding
Biological Process
GO:0006874 intracellular calcium ion homeostasis
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0007010 cytoskeleton organization
GO:0007165 signal transduction
GO:0007267 cell-cell signaling
GO:0008360 regulation of cell shape
GO:0030335 positive regulation of cell migration
GO:0031640 killing of cells of another organism
GO:0048245 eosinophil chemotaxis
GO:0061844 antimicrobial humoral immune response mediated by antimicrobial peptide
GO:0070098 chemokine-mediated signaling pathway
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:2ra4, PDBe:2ra4, PDBj:2ra4
PDBsum2ra4
PubMed18323622
UniProtQ99616|CCL13_HUMAN C-C motif chemokine 13 (Gene Name=CCL13)

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