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 Poor or Non Binders
Target Regulators
Target Profiles in Patients
Target Affiliated Biological Pathways
References
Drug Binding Sites of Target  Top
Ligand Name: Myo-inositol hexaphosphate Ligand Info
Structure Description The DBLb domain of PF11_0521 PfEMP1 bound to human ICAM-1 PDB:5MZA
Method X-ray diffraction Resolution 2.78 Å Mutation No [16]
PDB Sequence
QTSVSPSKVI
10
LPRGGSVLVT
20
CSTSCDQPKL
30
LGIETPLPKK
40
ELLLPGNNRK
50

VYELSNVQED
60
SQPMCYSNCP
70
DGQSTAKTFL
80
TVYWTPERVE
90
LAPLPSWQPV
100

GKNLTLRCQV
110
EGGAPRANLT
120
VVLLRGEKEL
130
KREPAVGEPA
140
EVTTTVLVRR
150

DHHGANFSCR
160
TELDLRPQGL
170
ELFENTSAPY
180
QLQTFG
Residue
Distance (Å)
ARG125
2.843
LYS128
2.755
Residue
Distance (Å)
ARG149
2.835
HIS152
3.207
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
Protein Name Pfam ID Percentage of Identity (%) E value
Hemicentin-2 (HMCN2)
PF12662 ; 
PF07645 ; 
PF07474 ; 
PF07679 ; 
PF13927
More >>
 28.902 (50/173) 2.96E-04
Myelin-associated glycoprotein (MAG)
PF08205 ; 
PF13927
26.190 (55/210) 7.86E-04
Hemicentin-1 (HMCN1)
PF12662 ; 
PF07645 ; 
PF07474 ; 
PF07679 ; 
PF13927 ; 
PF00090
More >>
 26.119 (35/134) 1.00E-03
Cell adhesion molecule 2 (CADM2)
PF08205 ; 
PF13927 ; 
PF07686
More >>
 27.586 (40/145) 2.00E-03
Protein turtle homolog B (IGSF9B)
PF13895 ; 
PF13927
37.179 (29/78) 2.00E-03
Vascular cell adhesion protein 1 (VCAM1)
PF05790 ; 
PF07679 ; 
PF00047 ; 
PF13927
More >>
 22.477 (49/218) 4.00E-03
  Click to Show/Hide the Information of Human Similarity Proteins
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.
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KEGG Pathway Pathway ID Affiliated Target Pathway Map
NF-kappa B signaling pathway hsa04064 Affiliated Target
  Class: Environmental Information Processing => Signal transduction Pathway Hierarchy
Cell adhesion molecules hsa04514 Affiliated Target
  Class: Environmental Information Processing => Signaling molecules and interaction Pathway Hierarchy
Natural killer cell mediated cytotoxicity hsa04650 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
TNF signaling pathway hsa04668 Affiliated Target
  Class: Environmental Information Processing => Signal transduction Pathway Hierarchy
Leukocyte transendothelial migration hsa04670 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Degree 16 Degree centrality 1.72E-03 Betweenness centrality 6.37E-04
Closeness centrality 2.28E-01 Radiality 1.40E+01 Clustering coefficient 1.75E-01
Neighborhood connectivity 2.81E+01 Topological coefficient 8.90E-02 Eccentricity 12
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