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
Target Regulators
Target Affiliated Biological Pathways
References
Drug Binding Sites of Target  Top
Ligand Name: Cisplatin Ligand Info
Structure Description X-ray structure of human heavy chain ferritin in complex with cisplatin PDB:5N26
Method X-ray diffraction Resolution 2.05 Å Mutation No [3]
PDB Sequence
ASTSQVRQNY
12
HQDSEAAINR
22
QINLELYASY
32
VYLSMSYYFD
42
RDDVALKNFA
52

KYFLHQSHEE
62
REHAEKLMKL
72
QNQRGGRIFL
82
QDIKKPDCDD
92
WESGLNAMEC
102

ALHLEKNVNQ
112
SLLELHKLAT
122
DKNDPHLCDF
132
IETHYLNEQV
142
KAIKELGDHV
152

TNLRKMGAPE
162
SGLAEYLFDK
172
HTLG
Residue
Distance (Å)
LYS68
2.056
ASP89
3.310
CYS90
3.083
ASP91
4.296
ASP92
3.662
TRP93
3.408
Residue
Distance (Å)
GLU94
4.577
ASN98
3.465
CYS102
2.376
THR135
3.041
HIS136
2.057
GLU140
4.714
Ligand Name: Butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate Ligand Info
Structure Description Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution PDB:6WYF
Method X-ray diffraction Resolution 1.25 Å Mutation Yes [4]
PDB Sequence
TSQVRQNYHQ
14
DSEAAINRQI
24
NLELYASYVY
34
LSMSYYFDRD
44
DVALKNFAKY
54

FLHQSHEERE
64
HAEKLMKLQN
74
QRGGRIFLQD
84
IQKPDEDDWE
94
SGLNAMEAAL
104

HLEKNVNQSL
114
LELHKLATDK
124
NDPHLADFIE
134
THYLNEQVKA
144
IKELGDHVTN
154

LRCMGAPESG
164
LAEYLFDKHT
174
LG
Residue
Distance (Å)
THR153
3.741
ARG156
4.799
Residue
Distance (Å)
CYS157
1.320
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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).
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.
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KEGG Pathway Pathway ID Affiliated Target Pathway Map
Ferroptosis hsa04216 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Necroptosis hsa04217 Affiliated Target
  Class: Cellular Processes => Cell growth and death Pathway Hierarchy
Mineral absorption hsa04978 Affiliated Target
  Class: Organismal Systems => Digestive system Pathway Hierarchy
Degree 3 Degree centrality 3.22E-04 Betweenness centrality 1.35E-05
Closeness centrality 1.82E-01 Radiality 1.30E+01 Clustering coefficient 3.33E-01
Neighborhood connectivity 4.33E+00 Topological coefficient 4.00E-01 Eccentricity 13
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