Target Information

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Target General Information
Drug Binding Sites of Target
Different Human System Profiles of Target
References
Drug Binding Sites of Target  Top
Ligand Name: [(2r)-2-Octanoyloxy-3-[oxidanyl-[(1r,2r,3s,4r,5r,6s)-2,3,6-Tris(Oxidanyl)-4,5-Diphosphonooxy-Cyclohexyl]oxy-Phosphoryl]oxy-Propyl] Octanoate Ligand Info
Structure Description Crystal structure of human beta-defensin 2 in complex with PIP2 PDB:6CS9
Method X-ray diffraction Resolution 1.85 Å Mutation No [2]
PDB Sequence
GIGDPVTCLK
10
SGAICHPVFC
20
PRRYKQIGTC
30
GLPGTKCCKK
40
P
Residue
Distance (Å)
PRO5
3.790
VAL6
4.015
LEU9
2.640
LYS10
2.940
SER11
3.682
Residue
Distance (Å)
GLY12
2.920
ALA13
4.797
CYS15
4.537
LEU32
4.194
LYS39
4.973
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
NOD-like receptor signaling pathway hsa04621 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
IL-17 signaling pathway hsa04657 Affiliated Target
  Class: Organismal Systems => Immune system Pathway Hierarchy
Degree 2 Degree centrality 2.15E-04 Betweenness centrality 4.87E-06
Closeness centrality 1.62E-01 Radiality 1.24E+01 Clustering coefficient 0.00E+00
Neighborhood connectivity 7.50E+00 Topological coefficient 5.00E-01 Eccentricity 13
Download Click to Download the Full PPI Network of This Target

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