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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2cq1 PTB-LIKE PROTEIN L
(Homo
sapiens)		5 / 12ALA A 106
ALA A 107
MET A 110
VAL A 111
THR A  86
None
0.57A15.79
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2mki CYTOPLASMIC
POLYADENYLATION
ELEMENT-BINDING
PROTEIN 4
(Homo
sapiens)		5 / 12VAL A 250
ALA A 230
ALA A 231
VAL A 237
GLY A 199
None
1.06A20.00
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2n3o POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1
(Homo
sapiens)		6 / 12GLU A 135
ALA A 106
ALA A 107
MET A 110
VAL A 111
THR A  86
None
1.02A16.84
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2vr2 DIHYDROPYRIMIDINASE
(Homo
sapiens)		5 / 12ASP A  17
TYR A 389
ALA A 382
ALA A 383
GLY A  63
None
1.10A19.78
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3qkg PROTEIN AMBP
(Homo
sapiens)		5 / 12MET A 163
ILE A  30
VAL A  46
GLU A  74
GLY A  23
None
1.09A20.00
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS
(Homo
sapiens)		5 / 12VAL A2015
GLU A1990
ALA A1998
MET A2001
GLY A2104
None
1.03A21.88
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4i6j F-BOX/LRR-REPEAT
PROTEIN 3
(Homo
sapiens)		5 / 12ILE B 392
VAL B 380
GLU B 349
ALA B 355
GLY B 328
None
0.89A21.93
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1
(Homo
sapiens)		5 / 12VAL A4296
ALA A4192
ALA A4245
VAL A4252
GLY A4142
None
1.09A21.65
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4o3s DNA POLYMERASE ETA
(Homo
sapiens)		5 / 12MET A 200
ILE A 196
ALA A 112
ALA A 117
VAL A  12
None
0.94A21.67
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1hjv CHITINASE-3 LIKE
PROTEIN 1
(Homo
sapiens)		4 / 5PRO A 142
LEU A 254
TYR A 243
PHE A 234
None
1.24A21.32
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1m1l SUPPRESSOR OF FUSED
(Homo
sapiens)		4 / 5PRO A 134
HIS A  89
LEU A 144
PHE A  93
None
1.35A20.65
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)
(Homo
sapiens)		4 / 5PRO H 229
HIS H 420
LEU H 391
TYR H 358
GAL  H 435 (-4.8A)
None
None
None
1.06A21.49
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT
(Homo
sapiens)		4 / 5PRO A  54
HIS A  71
LEU A 128
PHE A 241
None
ZN  A 482 (-3.5A)
None
None
1.49A21.03
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		2vge RELA-ASSOCIATED
INHIBITOR
(Homo
sapiens)		4 / 5PRO A 696
HIS A 715
LEU A 640
TYR A 673
None
1.46A21.94
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4asi ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)		4 / 5HIS A1919
LEU A2077
TYR A2064
PHE A2061
None
1.11A17.97
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)		4 / 5PRO A 474
HIS A 429
LEU A 484
PHE A 433
None
1.41A18.93
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE
(Homo
sapiens)		4 / 5PRO A 554
LEU A 421
TYR A 415
PHE A 379
None
1.45A21.93
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 5PRO A 619
HIS A 497
LEU A 552
PHE A 572
None
ZN  A 801 ( 3.3A)
None
None
1.32A18.60
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4ifs FACT COMPLEX SUBUNIT
SSRP1
(Homo
sapiens)		4 / 5PRO A 366
LEU A 205
TYR A 232
PHE A 230
None
1.50A18.69
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4li2 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4
R-SPONDIN-1
(Homo
sapiens;
Xenopus
tropicalis)		4 / 5PRO B  89
HIS A 210
LEU A 240
TYR A 283
None
1.39A13.95
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5
R-SPONDIN-2
(Homo
sapiens)		4 / 5PRO B  88
HIS A 216
LEU A 246
TYR A 289
None
1.43A16.79
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5feb SODIUM CHANNEL
SUBUNIT BETA-2
(Homo
sapiens)		4 / 5PRO A  35
HIS A 139
LEU A  81
TYR A  69
None
1.12A17.47
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)		4 / 5PRO X 124
HIS X 111
TYR X 310
PHE X 312
None
DQP  X 402 ( 4.1A)
None
DQP  X 402 (-4.9A)
1.38A22.48
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE
(Homo
sapiens)		4 / 5PRO A  77
HIS A 434
TYR A 369
PHE A 362
None
1.17A21.95
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5ujz SCFV
(Homo
sapiens)		4 / 5PRO G  45
HIS G 160
LEU G  34
TYR G 236
None
1.40A20.00
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5ums FACT COMPLEX SUBUNIT
SSRP1
(Homo
sapiens)		4 / 5PRO A 366
LEU A 205
TYR A 232
PHE A 230
None
1.48A15.36
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6d0y NUCLEAR CAP-BINDING
PROTEIN SUBUNIT 2
(Homo
sapiens)		4 / 5HIS A  24
LEU A  36
TYR A  43
PHE A  83
None
None
GTA  A 201 (-3.4A)
GTA  A 201 (-3.7A)
1.40A16.41
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE
(Homo
sapiens)		5 / 12ILE A 806
TYR A 823
HIS A 908
SER A 768
ILE A 751
None
1.34A22.09
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1
(Homo
sapiens)		5 / 12ILE A 575
GLY A 576
GLU A 428
ARG A 481
PHE A 500
None
1.17A21.38
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		3w6o DYNAMIN-1-LIKE
PROTEIN
(Homo
sapiens)		5 / 12ILE A 166
GLY A 149
SER A 175
ILE A 174
PHE A 173
None
GCP  A 801 (-3.6A)
None
None
None
1.04A21.22
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		4a5w COMPLEMENT C5
(Homo
sapiens)		5 / 12ILE A 345
GLY A 344
TYR A 347
GLU A 247
ILE A 267
None
1.22A11.99
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN
(Homo
sapiens;
Rattus
norvegicus)		5 / 12ILE A 297
ASP A 234
GLU A 268
SER A 340
ILE A 343
IOD  A 615 (-4.7A)
ADP  A 601 ( 4.9A)
ADP  A 601 ( 3.0A)
ADP  A 601 (-3.4A)
None
1.38A19.96
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		4rma EZRIN
(Homo
sapiens)		5 / 12ILE A 238
GLY A 239
SER A 249
ILE A 248
PHE A 255
None
0.97A22.41
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10
(Homo
sapiens)		5 / 12ILE A 656
GLY A 653
ASP A 664
GLU A 665
PHE A 668
None
1.37A16.62
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE
(Homo
sapiens)		5 / 12ILE A 371
GLY A 370
HIS A 404
SER A 541
ILE A 540
None
1.27A18.03
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		5 / 12ILE A 293
GLY A 292
ASP A  86
HIS A 377
ILE A 201
None
1.27A11.71
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens)		5 / 12ILE A 598
GLY A 611
ASP A 645
SER A 627
ILE A 631
None
1.21A15.81