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.
2A68_C_RBTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
(Homo
sapiens)
5 / 11ARG A1607
GLN A1604
PHE A1592
SER A1133
PRO A1128
None
1.34A21.79
15.19
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
1a1z FADD PROTEIN
(Homo
sapiens)
4 / 7LEU A  67
ARG A  72
GLY A  42
SER A  12
None
0.88A21.09
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
2dm0 TYROSINE-PROTEIN
KINASE TXK
(Homo
sapiens)
4 / 7ARG A 109
LEU A 110
ARG A 111
GLY A 105
None
0.98A19.86
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
2enq PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)
4 / 7ASN A 134
ARG A  34
GLY A  41
TYR A  38
None
0.83A24.07
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6
(Homo
sapiens)
4 / 7ASN B 600
LEU B 601
GLY B 557
TYR B 556
None
1.01A8.78
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
2r3v MEVALONATE KINASE
(Homo
sapiens)
4 / 7ASN A 236
LEU A 234
GLY A 140
SER A 145
None
0.77A15.26
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
3cw3 ABSENT IN MELANOMA 1
PROTEIN
(Homo
sapiens)
4 / 7ARG A  93
GLY A  53
TYR A  46
SER A  55
None
1.01A20.63
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens)
5 / 7ARG A 407
LEU B 253
GLY A 387
TYR A 388
SER A 389
None
1.19A8.78
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens)
5 / 7ARG A 407
LEU B 253
GLY A 404
TYR A 388
SER A 389
None
1.16A8.78
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6
(Homo
sapiens)
5 / 7ARG A 245
LEU B 265
GLY A 223
TYR A 224
SER A 225
None
1.27A10.66
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6
(Homo
sapiens)
5 / 7ARG A 245
LEU B 265
GLY A 242
TYR A 224
SER A 225
None
1.30A10.66
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14
(Homo
sapiens)
5 / 12VAL A 942
GLU A1013
PRO A1083
VAL A1173
PHE A1172
None
1.47A20.47
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
2x2u PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens)
5 / 12PHE A 188
VAL A 193
GLN A 187
PRO A 162
ILE A 200
None
1.44A17.03
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7
(Homo
sapiens)
5 / 12VAL A 179
VAL A 356
PHE A 214
GLN A 200
ILE A 300
None
AKG  A 701 (-4.1A)
None
E67  A 707 (-3.3A)
None
1.37A21.05
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL D  90
PHE D  92
GLN D 289
PRO D 170
PHE D 169
None
None
MLY  D 290 ( 4.8A)
None
MLY  D 287 ( 4.5A)
1.38A20.75
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens)
5 / 12GLU A 487
VAL A 420
GLN A 469
PHE A 438
ILE A 422
ZN  A1101 ( 1.9A)
None
None
None
None
1.41A21.67
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
4ux8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
(Homo
sapiens)
5 / 12PHE A 188
VAL A 193
GLN A 187
PRO A 162
ILE A 200
None
1.45A22.06
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B
(Homo
sapiens)
5 / 12VAL A 106
PHE A  42
PHE A  52
GLN A 173
PRO A   6
None
1.06A22.26
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B
(Homo
sapiens)
5 / 12VAL A 242
PRO A 406
PHE A 402
PHE A 183
PHE A 193
None
1.41A22.26
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)
5 / 12VAL A 102
PRO A 196
VAL A 236
PHE A 231
PHE A 407
None
1.35A20.31
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5u3p DH511.4 FAB HEAVY
CHAIN
DH511.4 FAB LIGHT
CHAIN
(Homo
sapiens)
5 / 12VAL H   2
PRO L  95
PHE H  27
GLN L  89
ILE H  69
None
1.32A15.57
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5wdh KINESIN-LIKE PROTEIN
KIFC1
(Homo
sapiens)
5 / 12VAL A 660
GLU A 570
VAL A 541
PHE A 656
ILE A 464
None
1.35A21.19
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)
5 / 12GLU C1354
PHE C1270
GLN C1280
PHE C1296
ILE C1341
None
1.34A9.18