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
Chemical Structure based Activity Landscape of Target
Drug Property Profile of Target
Co-Targets
Target Poor or Non Binders
Target Regulators
Target Affiliated Biological Pathways
Target-Related Models and Studies
References
Drug Binding Sites of Target  Top
Ligand Name: Ethambutol Ligand Info
Structure Description Human DNMT3B PWWP domain in complex with ethambutol PDB:5NR3
Method X-ray diffraction Resolution 2.30 Å Mutation No [7]
PDB Sequence
EYQDGKEFGI
225
GDLVWGKIKG
235
FSWWPAMVVS
245
WKATSKRQAM
255
SGMRWVQWFG
265

DGKFSEVSAD
275
KLVALGLFSQ
285
HFNLATFNKL
295
VSYRKAMYHA
305
LEKARVRAGK
315

TFPDSLEDQL
329
KPMLEWAHGG
339
FKPTGIEGLK
349
P
Residue
Distance (Å)
ILE233
3.612
PHE236
3.393
TRP239
3.508
TRP263
3.399
Residue
Distance (Å)
ASP266
2.628
LYS268
3.746
SER297
3.845
Ligand Name: Triisopropanolamine Ligand Info
Structure Description Human DNMT3B PWWP domain in complex with triisopropanolamine PDB:6R3E
Method X-ray diffraction Resolution 2.27 Å Mutation No [8]
PDB Sequence
SEYQDGKEFG
224
IGDLVWGKIK
234
GFSWWPAMVV
244
SWKATSKRQA
254
MSGMRWVQWF
264

GDGKFSEVSA
274
DKLVALGLFS
284
QHFNLATFNK
294
LVSYRKAMYH
304
ALEKARVRAG
314

KTFPSSLEDQ
328
LKPMLEWAHG
338
GFKPTGIEGL
348
KPN
Residue
Distance (Å)
ILE233
3.970
PHE236
3.441
SER237
4.951
TRP239
3.319
Residue
Distance (Å)
TRP263
3.355
PHE264
4.615
ASP266
2.377
SER297
4.993
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
Transcriptional regulator ATRX (ATRX)
PF17981 ; 
PF00271 ; 
PF00176
More >>
 28.671 (41/143) 2.84E-07
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      
KEGG Pathway Pathway ID Affiliated Target Pathway Map
Cysteine and methionine metabolism hsa00270 Affiliated Target
  Class: Metabolism => Amino acid metabolism Pathway Hierarchy
Degree 9 Degree centrality 9.67E-04 Betweenness centrality 1.10E-04
Closeness centrality 2.21E-01 Radiality 1.39E+01 Clustering coefficient 4.17E-01
Neighborhood connectivity 4.58E+01 Topological coefficient 1.75E-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.