POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
2h26 T-CELL SURFACE
GLYCOPROTEIN CD1B
(Homo
sapiens)
4 / 7ILE A  74
PHE A  75
TRP A  40
ASP A  41
None
None
6UL  A 312 (-4.7A)
None
1.35A21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
2p57 GTPASE-ACTIVATING
PROTEIN ZNF289
(Homo
sapiens)
4 / 7ILE A  39
PHE A  62
TRP A  72
ASP A  69
None
1.45A19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
2ql6 NICOTINAMIDE
RIBOSIDE KINASE 1
(Homo
sapiens)
4 / 7ILE A 161
PHE A 103
TRP A 112
TRP A 163
None
1.28A21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
3llr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)
5 / 7PHE A  29
TRP A  32
TRP A  56
ASP A  59
LYS A  61
BTB  A 154 (-3.2A)
BTB  A 154 (-3.6A)
BTB  A 154 (-3.4A)
BTB  A 154 (-2.7A)
BTB  A 154 (-3.6A)
1.00A51.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
4fzd SERINE/THREONINE-PRO
TEIN KINASE MST4
(Homo
sapiens)
4 / 7ILE B  52
PHE B  39
TRP B  96
LYS B  94
None
1.38A21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
4ld6 PWWP
DOMAIN-CONTAINING
PROTEIN 2B
(Homo
sapiens)
4 / 7ILE A 498
PHE A 501
TRP A 504
TRP A 530
GOL  A3001 (-4.7A)
GOL  A3001 (-3.2A)
GOL  A3001 (-3.6A)
GOL  A3001 (-3.4A)
0.27A32.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)
4 / 7ILE B  52
PHE B  39
TRP B  96
LYS B  94
None
1.46A21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN
(Homo
sapiens)
4 / 7ILE A 540
PHE A 449
ASP A 445
SER A 381
None
None
ZN  A 802 (-2.0A)
None
1.44A9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
4ylr TUBULIN
POLYGLUTAMYLASE
TTLL7
(Homo
sapiens)
4 / 7ILE A  52
TRP A  76
ASP A  78
LYS A  49
None
1.20A14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN
(Homo
sapiens)
4 / 7ILE C 449
PHE C 401
ASP C 492
SER C 470
None
None
MG  C 801 (-2.8A)
None
1.48A14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)
5v89 DCN1-LIKE PROTEIN 4
(Homo
sapiens)
4 / 7ILE A 262
PHE A 258
TRP A 275
ASP A 280
None
1.40A23.00