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
Co-Targets
Target Regulators
References
Drug Binding Sites of Target  Top
Ligand Name: Adenosine triphosphate Ligand Info
Structure Description Structure of APPBP1-UBA3~NEDD8-NEDD8-MgATP-Ubc12(C111A), a trapped ubiquitin-like protein activation complex PDB:2NVU
Method X-ray diffraction Resolution 2.80 Å Mutation Yes [4]
PDB Sequence
MLIKVKTLTG
10
KEIEIDIEPT
20
DKVERIKERV
30
EEKEGIPPQQ
40
QRLIYSGKQM
50

NDEKTAADYK
60
ILGGSVLHLV
70
LALRGG
Residue
Distance (Å)
GLY75
4.968
Residue
Distance (Å)
GLY76
2.896
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Ligand Name: MLN4924 Ligand Info
Structure Description Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 PDB:3GZN
Method X-ray diffraction Resolution 3.00 Å Mutation No [5]
PDB Sequence
HHHMLIKVKT
7
LTGKEIEIDI
17
EPTDKVERIK
27
ERVEEKEGIP
37
PQQQRLIYSG
47

KQMNDEKTAA
57
DYKILGGSVL
67
HLVLALRGG
Residue
Distance (Å)
GLY75
3.980
Residue
Distance (Å)
GLY76
1.266
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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).
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
Biological Network Descriptors
There is no similarity protein (E value < 0.005) for this target
Degree 45 Degree centrality 4.83E-03 Betweenness centrality 3.47E-03
Closeness centrality 2.51E-01 Radiality 1.44E+01 Clustering coefficient 1.86E-01
Neighborhood connectivity 4.03E+01 Topological coefficient 4.75E-02 Eccentricity 12
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