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.
2QB4_A_DSMA801_1
(TRANSPORTER)		1htj KIAA0380
(Homo
sapiens)		5 / 12LEU F 324
LEU F 317
ARG F 320
PHE F 311
LEU F 436
None
1.00A17.06
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		3p11 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3
(Homo
sapiens)		5 / 12LEU A  30
VAL A  40
ILE A  46
PHE A  57
LEU A  78
None
1.05A21.05
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1
(Homo
sapiens)		5 / 12LEU A1299
VAL A1306
GLN A1308
ILE A1588
LEU A1151
None
None
None
None
SAH  A1601 (-3.6A)
1.12A18.92
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		4qgk FATTY ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)		5 / 12LEU A  27
LEU A  30
VAL A  34
GLN A  35
ASP A  69
None
1.15A23.09
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		5k8r PROTOCADHERIN
GAMMA-B3
(Homo
sapiens)		5 / 12LEU A 232
LEU A 271
ILE A 305
PHE A 262
LEU A 277
None
1.14A20.95
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2
(Escherichia
coli;
Escherichia
virus
T4;
Homo
sapiens)		6 / 12LEU A2093
LEU A2013
VAL A2015
ILE A2071
ALA A2028
LEU A2075
None
1.50A23.68
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)		5 / 12LEU B 107
LEU B 105
ALA B 172
LEU B 183
ASP B 179
None
1.12A22.56
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		5w21 KLOTHO
(Homo
sapiens)		6 / 12LEU A 398
VAL A 413
ILE A 401
ALA A 368
PHE A 367
LEU A 324
None
1.44A11.54
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)
(Homo
sapiens)		4 / 7ILE A 230
SER A 318
ARG A 261
PHE A 289
None
0.82A19.96
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA
(Homo
sapiens)		4 / 7ILE A 578
ARG A 602
PHE A 581
PHE A 506
None
1.10A22.62
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE
(Homo
sapiens)		4 / 7ILE A  20
PHE A  63
ILE A  99
PHE A  93
None
1.06A20.19
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1o5t TRYPTOPHANYL-TRNA
SYNTHETASE
(Homo
sapiens)		4 / 7ILE A 359
PHE A 340
ILE A 175
PHE A 406
None
1.13A21.88
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1r6u TRYPTOPHANYL-TRNA
SYNTHETASE
(Homo
sapiens)		4 / 7ILE A 359
PHE A 340
ILE A 175
PHE A 406
None
None
TYM  A 501 ( 4.5A)
None
1.02A22.78
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1rw2 ATP-DEPENDENT DNA
HELICASE II, 80 KDA
SUBUNIT
(Homo
sapiens)		4 / 7ILE A  81
ARG A  96
PHE A  97
ILE A 128
None
1.03A14.76
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))
(Homo
sapiens)		4 / 7ILE P 253
SER P 343
ARG P 284
PHE P 314
None
0.93A21.58
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		1xkt FATTY ACID SYNTHASE
(Homo
sapiens)		4 / 7ARG A2220
PHE A2375
ILE A2404
PHE A2371
None
1.16A21.08
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		2i7n PANTOTHENATE KINASE
1
(Homo
sapiens)		4 / 7ILE A 243
PHE A 312
ILE A 310
PHE A 320
None
1.06A19.69
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A
(Homo
sapiens)		4 / 7SER B  40
PHE B 112
ILE B 114
PHE B  53
None
1.14A15.55
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 7ILE A 599
ARG A 577
ILE A 556
PHE A 619
None
1.10A20.49
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 7ILE A 599
ARG A 577
ILE A 556
PHE A 619
None
1.12A19.91
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		3i3n KELCH-LIKE PROTEIN
11
(Homo
sapiens)		4 / 7ARG A 229
PHE A 232
ILE A 228
PHE A 241
None
1.04A19.70
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		5kni TANKYRASE-1
(Homo
sapiens)		4 / 7ILE A1068
ARG A1044
PHE A1047
ILE A1031
None
1.07A8.72
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		5mp0 M7GPPPN-MRNA
HYDROLASE
(Homo
sapiens)		4 / 7ILE D 176
ARG D 233
ILE D 232
PHE D 126
None
1.07A17.07
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		5ufl PROTEIN CIP2A
(Homo
sapiens)		4 / 7ILE A 393
PHE A 370
ILE A 369
PHE A 385
None
0.93A21.59
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		5y30 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)		4 / 7ILE A  61
PHE A  98
ILE A 122
PHE A 111
None
0.97A9.44
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		5y31 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)		4 / 7ILE B  61
PHE B  98
ILE B 122
PHE B 111
None
0.95A9.44
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		1h4l CELL DIVISION
PROTEIN KINASE 5
(Homo
sapiens)		5 / 11LEU A 267
ARG A 274
ILE A 215
LEU A 173
ASP A 171
None
1.17A19.76
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		1htj KIAA0380
(Homo
sapiens)		5 / 11LEU F 324
LEU F 317
ARG F 320
PHE F 311
LEU F 436
None
0.98A17.00
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		2x8a NUCLEAR
VALOSIN-CONTAINING
PROTEIN-LIKE
(Homo
sapiens)		5 / 11LEU A 793
LEU A 796
ALA A 800
PHE A 828
LEU A 770
None
1.02A21.14
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		4gxb SORTING NEXIN-17
(Homo
sapiens)		5 / 11LEU A 123
LEU A 201
ARG A 202
PHE A 160
LEU A 224
None
None
GOL  A 401 (-4.1A)
None
None
1.17A18.59
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4
(Homo
sapiens)		5 / 11LEU A 134
LEU A 110
ARG A 135
ALA A  89
ASP A 137
None
1.19A22.15
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		4zdv MICROTUBULE-ASSOCIAT
ED PROTEINS 1A/1B
LIGHT CHAIN 3A
(Homo
sapiens)		5 / 11LEU A  63
ILE A  35
PHE A  79
PHE A  52
ASP A  48
None
1.13A12.16
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		5k8r PROTOCADHERIN
GAMMA-B3
(Homo
sapiens)		5 / 11LEU A 232
LEU A 271
ILE A 305
PHE A 262
LEU A 277
None
1.13A21.43
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens)		5 / 11LEU B 107
LEU B 105
ALA B 172
LEU B 183
ASP B 179
None
1.14A22.97
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		5u7q RHO-ASSOCIATED
PROTEIN KINASE 2
(Homo
sapiens)		5 / 11LEU A 284
LEU A 288
ILE A 329
PHE A 315
LEU A 313
None
1.19A20.65
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.
2QJU_A_DSMA801_1
(TRANSPORTER)		5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)		5 / 11LEU A 259
LEU A 272
ILE A 257
PHE A 304
LEU A 286
None
1.17A20.42