Target Information

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Target General Information
Drugs and Modes of Action
Drug Binding Sites of Target
Different Human System Profiles of Target
Chemical Structure based Activity Landscape of Target
Target Regulators
Target Affiliated Biological Pathways
References
Drug Binding Sites of Target  Top
Ligand Name: Levovist Ligand Info
Structure Description Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin PDB:5DNF
Method X-ray diffraction Resolution 2.55 Å Mutation No [3]
PDB Sequence
SSDTTPCCFA
13
YIARPLPRAH
23
IKEYFYTSGK
33
CSNPAVVFVT
43
RKNRQVCANP
53

EKKWVREYIN
63
SLEMS
Residue
Distance (Å)
SER4
1.409
Residue
Distance (Å)
SER5
3.395
Ligand Name: Pyroglutamic Acid Ligand Info
Structure Description Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5 PDB:5UIW
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [4]
PDB Sequence
GPPLMALQSC
10
CFAYIARPLP
20
RAHIKEYFYT
30
SGKCSNPAVV
40
FVTRKNRQVC
50

ANPEKKWVRE
60
YINSLEM
Residue
Distance (Å)
GLY1
1.327
PRO2
4.799
MET5
4.064
Residue
Distance (Å)
GLY32
4.165
LYS33
3.748
Click to View More Binding Site Information of This Target with Different Ligands
Different Human System Profiles of Target  Top
Human Similarity Proteins of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs (Brief Bioinform, 21: 649-662, 2020).
Human Pathway Affiliation of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes (Pharmacol Rev, 58: 259-279, 2006).
Biological Network Descriptors of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.
The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information (Front Pharmacol, 9, 1245, 2018; Curr Opin Struct Biol. 44:134-142, 2017).
Human Similarity Proteins
Human Pathway Affiliation
Biological Network Descriptors
There is no similarity protein (E value < 0.005) for this target
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KEGG Pathway Pathway ID Affiliated Target Pathway Map
Cytokine-cytokine receptor interaction hsa04060 Affiliated Target
  Class: Environmental Information Processing => Signaling molecules and interaction Pathway Hierarchy
Viral protein interaction with cytokine and cytokine receptor hsa04061 Affiliated Target
  Class: Environmental Information Processing => Signaling molecules and interaction Pathway Hierarchy
Chemokine signaling pathway hsa04062 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Toll-like receptor signaling pathway hsa04620 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
NOD-like receptor signaling pathway hsa04621 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Cytosolic DNA-sensing pathway hsa04623 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
TNF signaling pathway hsa04668 Affiliated Target
  Class: Environmental Information Processing => Signal transduction Pathway Hierarchy
  Click to Show/Hide the Information of Affiliated Human Pathways
Degree 21 Degree centrality 2.26E-03 Betweenness centrality 4.70E-04
Closeness centrality 2.24E-01 Radiality 1.39E+01 Clustering coefficient 3.67E-01
Neighborhood connectivity 2.97E+01 Topological coefficient 1.13E-01 Eccentricity 11
Download Click to Download the Full PPI Network of This Target

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