Target Information

Content Navigation (  All   None )                                      
Target General Information
Drugs and Modes of Action
Drug Binding Sites of Target
Different Human System Profiles of Target
References
Drug Binding Sites of Target  Top
Ligand Name: Simvastatin acid Ligand Info
Structure Description Structural basis for simvastatin competitive antagonism of complement receptor 3 PDB:4XW2
Method X-ray diffraction Resolution 2.00 Å Mutation No [4]
PDB Sequence
DSDIAFLIDG
141
SGSIIPHDFR
151
RMKEFVSTVM
161
EQLKKSKTLF
171
SLMQYSEEFR
181

IHFTFKEFQN
191
NPNPRSLVKP
201
ITQLLGRTHT
211
ATGIRKVVRE
221
LFNITNGARK
231

NAFKILVVIT
241
DGEKFGDPLG
251
YEDVIPEADR
261
EGVIRYVIGV
271
GDAFRSEKSR
281

QELNTIASKP
291
PRDHVFQVNN
301
FEALKTIQNQ
311
LREK
Residue
Distance (Å)
SER142
3.023
GLY143
3.471
SER144
2.858
GLY207
3.525
Residue
Distance (Å)
ARG208
3.179
THR209
2.544
GLU244
4.861
PHE246
3.494
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 Tissue Distribution of target is determined from a proteomics study that quantified more than 12,000 genes across 32 normal human tissues. Tissue Specificity (TS) score was used to define the enrichment of target across tissues.
The distribution of targets among different tissues or organs need to be taken into consideration when assessing the target druggability, as it is generally accepted that the wider the target distribution, the greater the concern over potential adverse effects (Nat Rev Drug Discov, 20: 64-81, 2021).
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 Tissue Distribution
Human Pathway Affiliation
Biological Network Descriptors
There is no similarity protein (E value < 0.005) for this target
Note: If a protein has TS (tissue specficity) scores at least in one tissue >= 2.5, this protein is called tissue-enriched (including tissue-enriched-but-not-specific and tissue-specific). In the plots, the vertical lines are at thresholds 2.5 and 4.
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
 Download Picture         KEGG Link      
KEGG Pathway Pathway ID Affiliated Target Pathway Map
Rap1 signaling pathway hsa04015 Affiliated Target
  Class: Environmental Information Processing => Signal transduction Pathway Hierarchy
Phagosome hsa04145 Affiliated Target
  Class: Cellular Processes => Transport and catabolism Pathway Hierarchy
Cell adhesion molecules hsa04514 Affiliated Target
  Class: Environmental Information Processing => Signaling molecules and interaction Pathway Hierarchy
Complement and coagulation cascades hsa04610 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Neutrophil extracellular trap formation hsa04613 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Hematopoietic cell lineage hsa04640 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Leukocyte transendothelial migration hsa04670 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Regulation of actin cytoskeleton hsa04810 Affiliated Target
  Class: Cellular Processes => Cell motility Pathway Hierarchy
  Click to Show/Hide the Information of Affiliated Human Pathways
Degree 26 Degree centrality 2.79E-03 Betweenness centrality 2.33E-03
Closeness centrality 2.25E-01 Radiality 1.40E+01 Clustering coefficient 1.02E-01
Neighborhood connectivity 1.76E+01 Topological coefficient 6.12E-02 Eccentricity 12
Download Click to Download the Full PPI Network of This Target

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.