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.
3L2U_A_ELVA397_1
(INTEGRASE)
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR
(Homo
sapiens)
4 / 5ASP A  38
ASP A 130
TYR A 157
PRO A 159
MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
0.59A20.30
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.
3L2U_A_ELVA397_1
(INTEGRASE)
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2
(Homo
sapiens)
4 / 5ASP A 147
ASP A 148
TYR A 121
PRO A 105
None
1.20A20.96
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.
3L2U_A_ELVA397_1
(INTEGRASE)
4xat NOELIN
(Homo
sapiens)
4 / 5ASP A 356
ASP A 453
TYR A 454
GLU A 404
CA  A 501 ( 2.7A)
NA  A 504 ( 2.8A)
None
CA  A 501 (-2.9A)
1.39A20.85
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.
3L2W_A_ELVA397_1
(INTEGRASE)
1bj8 GP130
(Homo
sapiens)
4 / 5ASP A  60
TYR A  41
PRO A  58
GLU A  59
None
1.46A15.64
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.
3L2W_A_ELVA397_1
(INTEGRASE)
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR
(Homo
sapiens)
4 / 5ASP A  38
ASP A 130
TYR A 157
PRO A 159
MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
0.59A20.30
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.
3L2W_A_ELVA397_1
(INTEGRASE)
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2
(Homo
sapiens)
4 / 5ASP A 147
ASP A 148
TYR A 121
PRO A 105
None
1.17A20.96
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.
3L2W_A_ELVA397_1
(INTEGRASE)
4xat NOELIN
(Homo
sapiens)
4 / 5ASP A 356
ASP A 453
TYR A 454
GLU A 404
CA  A 501 ( 2.7A)
NA  A 504 ( 2.8A)
None
CA  A 501 (-2.9A)
1.36A20.85
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.
3L2W_A_ELVA397_1
(INTEGRASE)
5iry DESMOCOLLIN-1
(Homo
sapiens)
4 / 5ASP A 103
ASP A  67
TYR A  71
GLU A  11
CA  A 614 ( 2.9A)
CA  A 605 (-2.2A)
None
CA  A 614 ( 3.1A)
1.29A22.76
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.
3L2W_A_ELVA397_1
(INTEGRASE)
5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)
4 / 5ASP A 206
ASP A  76
PRO A 136
GLU A 171
MG  A 402 (-3.1A)
None
None
MG  A 402 (-2.6A)
1.38A20.45
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.
3L2W_A_ELVA397_1
(INTEGRASE)
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6
(Homo
sapiens;
Mus
musculus)
4 / 5ASP A 301
TYR A 295
PRO A 304
GLU A 303
None
4IP  A 603 (-4.5A)
None
None
1.47A12.43