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: Glutathione Ligand Info
Structure Description Solution structure of human thioltransferase complex with glutathione PDB:1B4Q
Method Solution NMR Resolution N.A. Mutation Yes [2]
PDB Sequence
AQEFVNSKIQ
10
PGKVVVFIKP
20
TCPYSRRAQE
30
ILSQLPIKQG
40
LLEFVDITAT
50

NHTNEIQDYL
60
QQLTGARTVP
70
RVFIGKDSIG
80
GSSDLVSLQQ
90
SGELLTRLKQ
100

IGALQ
Residue
Distance (Å)
LYS19
3.171
CYS22
2.016
PRO23
4.427
TYR24
2.298
SER25
4.716
GLN57
3.589
ARG67
2.413
THR68
2.232
Residue
Distance (Å)
VAL69
1.736
PRO70
2.629
ARG71
4.491
GLY81
2.588
SER82
2.430
SER83
2.168
ASP84
3.258
Ligand Name: 2-Mercaptoethanesulfonic acid Ligand Info
Structure Description Crystal Structure of Human Glutaredoxin with MESNA PDB:4RQR
Method X-ray diffraction Resolution 1.08 Å Mutation No [3]
PDB Sequence
GTAQEFVNCK
8
IQPGKVVVFI
18
KPTCPYCRRA
28
QEILSQLPIK
38
QGLLEFVDIT
48

ATNHTNEIQD
58
YLQQLTGART
68
VPRVFIGKDC
78
IGGCSDLVSL
88
QQSGELLTRL
98

KQIGALQ
Residue
Distance (Å)
GLU3
4.982
CYS7
2.026
TYR24
3.699
ARG27
4.105
Residue
Distance (Å)
CYS82
2.021
SER83
2.593
VAL86
3.387
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).
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
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.
Degree 3 Degree centrality 3.22E-04 Betweenness centrality 7.63E-05
Closeness centrality 2.00E-01 Radiality 1.35E+01 Clustering coefficient 0.00E+00
Neighborhood connectivity 1.87E+01 Topological coefficient 3.33E-01 Eccentricity 12
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