Target Information

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
Different Human System Profiles of Target
Chemical Structure based Activity Landscape of Target
Target Poor or Non Binders
References
Drug Binding Sites of Target  Top
Ligand Name: Colchicine Ligand Info
Structure Description Joint nentron and X-ray structure of BRD4 in complex with colchicin PDB:6AJZ
Method X-ray diffraction Resolution 1.30 Å Mutation No [2]
PDB Sequence
MHHHHHHMST
43
NPPPPETSNP
53
NKPKRQTNQL
63
QYLLRVVLKT
73
LWKHQFAWPF
83

QQPVDAVKLN
93
LPDYYKIIKT
103
PMDMGTIKKR
113
LENNYYWNAQ
123
ECIQDFNTMF
133

TNCYIYNKPG
143
DDIVLMAEAL
153
EKLFLQKINE
163
LPT
Residue
Distance (Å)
TRP81
2.213
PRO82
2.792
PHE83
2.974
VAL87
2.445
LYS91
4.536
LEU92
2.768
ASN93
4.894
LEU94
2.283
TYR97
3.298
MET132
4.771
Residue
Distance (Å)
CYS136
3.188
TYR139
2.875
ASN140
2.026
LYS141
4.327
ASP144
2.645
ASP145
4.615
ILE146
2.457
VAL147
4.591
MET149
4.264
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Fedratinib Ligand Info
Structure Description Crystal structure of the first bromodomain of human BRD4 in complex with TG101348 PDB:4PS5
Method X-ray diffraction Resolution 1.40 Å Mutation No [3]
PDB Sequence
SMNPPPPETS
51
NPNKPKRQTN
61
QLQYLLRVVL
71
KTLWKHQFAW
81
PFQQPVDAVK
91

LNLPDYYKII
101
KTPMDMGTIK
111
KRLENNYYWN
121
AQECIQDFNT
131
MFTNCYIYNK
141

PGDDIVLMAE
151
ALEKLFLQKI
161
NELPTEE
Residue
Distance (Å)
TRP81
3.727
PRO82
3.384
PHE83
3.700
GLN85
4.747
VAL87
3.645
LEU92
3.632
LEU94
3.723
Residue
Distance (Å)
TYR97
4.498
CYS136
4.344
TYR139
4.196
ASN140
2.956
ASP145
4.189
ILE146
3.739
MET149
4.021
Click to View More Binding Site Information of This Target and Ligand Pair
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
Protein Name Pfam ID Percentage of Identity (%) E value
Uncharacterized protein KIAA2026 (KIAA2026) 24.603 (31/126) 6.34E-06
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 15 Degree centrality 1.61E-03 Betweenness centrality 5.67E-03
Closeness centrality 2.40E-01 Radiality 1.42E+01 Clustering coefficient 3.81E-02
Neighborhood connectivity 3.84E+01 Topological coefficient 8.08E-02 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.