Target Information

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
Different Human System Profiles of Target
Target Regulators
References
Drug Binding Sites of Target  Top
Ligand Name: (Hydroxyethyloxy)Tri(Ethyloxy)Octane Ligand Info
Structure Description Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 PDB:6UXQ
Method X-ray diffraction Resolution 1.70 Å Mutation No [2]
PDB Sequence
GPLGSSTMGQ
73
VGRQLAIIGD
83
DINRRYDSEF
93
QTMLQHLQPT
103
AENAYEYFTK
113

IATSLFESGI
123
NWGRVVALLG
133
FGYRLALHVY
143
QHGL
Residue
Distance (Å)
PHE111
4.797
GLU120
2.931
SER121
3.633
LEU132
3.910
GLY135
3.698
Residue
Distance (Å)
TYR136
3.706
ALA139
3.526
LEU140
3.661
TYR143
3.769
Ligand Name: (S)-2-Aminooctanedioic acid Ligand Info
Structure Description Bak in complex with Bim-h3Pc PDB:5VWZ
Method X-ray diffraction Resolution 1.62 Å Mutation Yes [3]
PDB Sequence
SMSEEQVAQD
30
TEEVFRSYVF
40
YRHQQEQEAE
50
GVAAPADPEM
60
VTLPLQPSST
70

MGQVGRQLAI
80
IGDDINRRYD
90
SEFQTMLQHL
100
QPTAENAYEY
110
FTKIATSLFE
120

SGINWGRVVA
130
LLGFGYRLAL
140
HVYQHGLTGF
150
LGQVTRFVVD
160
FMLHHSIARW
170

IAQRGGWVAA
180
LNLGNG
Residue
Distance (Å)
TYR38
4.030
ARG42
2.819
ILE85
4.216
ASN86
3.416
TYR89
3.455
PHE93
4.064
Residue
Distance (Å)
VAL129
4.882
ALA130
4.143
GLY133
3.319
PHE134
4.525
ARG137
2.554
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      
KEGG Pathway Pathway ID Affiliated Target Pathway Map
Protein processing in endoplasmic reticulum hsa04141 Affiliated Target
  Class: Genetic Information Processing => Folding, sorting and degradation Pathway Hierarchy
Apoptosis hsa04210 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Apoptosis - multiple species hsa04215 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Degree 10 Degree centrality 1.07E-03 Betweenness centrality 1.14E-04
Closeness centrality 2.35E-01 Radiality 1.41E+01 Clustering coefficient 6.89E-01
Neighborhood connectivity 4.87E+01 Topological coefficient 1.36E-01 Eccentricity 11
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.