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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
1aqc X11
(Homo
sapiens)
5 / 9GLY A 423
ASN A 424
VAL A 361
VAL A 462
LEU A 337
None
1.11A24.07
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens)
5 / 9LEU A  49
GLY A  12
VAL A  31
VAL A  19
LEU A  22
None
NAI  A 400 (-3.3A)
None
None
None
1.15A21.31
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
1glo CATHEPSIN S
(Homo
sapiens)
5 / 9LEU A 124
GLY A 170
VAL A 134
SER A 135
VAL A 136
None
1.15A23.32
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
2c0y PROCATHEPSIN S
(Homo
sapiens)
5 / 9LEU A 223
GLY A 269
VAL A 233
SER A 234
VAL A 235
None
1.15A21.59
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
2o96 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 7
(Homo
sapiens)
5 / 9GLY A  37
VAL A  19
SER A  18
VAL A  15
LEU A  14
None
1.04A22.90
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115
(Homo
sapiens)
5 / 9LEU A 316
GLY A 311
VAL A 340
VAL A 287
LEU A 290
None
1.11A15.22
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
2xwu IMPORTIN13
(Homo
sapiens)
5 / 9HIS B 582
VAL B 572
SER B 573
VAL B 576
LEU B 577
None
0.93A10.61
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
3cxp GLUCOSAMINE
6-PHOSPHATE
N-ACETYLTRANSFERASE
(Homo
sapiens)
5 / 9LEU A 133
GLY A 130
VAL A 124
SER A 125
VAL A  98
None
1.13A20.19
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
3in5 DNA POLYMERASE KAPPA
(Homo
sapiens)
5 / 9LEU A 349
GLY A 401
ASN A 316
VAL A 354
VAL A 322
None
0.99A16.21
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
3ovz CATHEPSIN K
(Homo
sapiens)
5 / 9LEU A 121
GLY A 168
VAL A 131
SER A 132
VAL A 133
None
1.22A21.33
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL
(Homo
sapiens)
5 / 9LEU A  57
GLY A  79
VAL A  92
VAL A  96
LEU A 106
EDO  A   3 ( 4.9A)
None
None
None
None
1.19A23.10
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8
(Homo
sapiens)
5 / 9GLY B  66
HIS B  98
SER B  61
VAL B 105
LEU B  60
None
1.14A19.66
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)
5 / 9LEU A 356
GLY A 367
VAL A 413
VAL A 417
LEU A 418
None
1.17A18.39