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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1ax8 OBESITY PROTEIN
(Homo
sapiens)		5 / 12LEU A 129
SER A 127
LEU A  65
MET A  68
ILE A  76
None
1.07A16.88
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1py5 TGF-BETA RECEPTOR
TYPE I
(Homo
sapiens)		5 / 12ASP A 351
LEU A 352
LEU A 316
LEU A 334
ILE A 349
PY1  A 700 (-2.7A)
None
None
None
None
1.10A22.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1skx ORPHAN NUCLEAR
RECEPTOR PXR
(Homo
sapiens)		7 / 12LEU A 240
SER A 247
PHE A 251
ARG A 410
LEU A 411
ILE A 414
MET A 425
RFP  A   1 (-3.5A)
RFP  A   1 (-3.1A)
RFP  A   1 (-4.7A)
RFP  A   1 ( 4.2A)
RFP  A   1 ( 4.7A)
RFP  A   1 ( 4.2A)
None
0.72A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1skx ORPHAN NUCLEAR
RECEPTOR PXR
(Homo
sapiens)		6 / 12MET A 243
PHE A 251
ARG A 410
LEU A 411
ILE A 414
MET A 425
RFP  A   1 (-3.5A)
RFP  A   1 (-4.7A)
RFP  A   1 ( 4.2A)
RFP  A   1 ( 4.7A)
RFP  A   1 ( 4.2A)
None
0.86A100.00
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A
(Homo
sapiens)		5 / 12LEU A 377
LEU A 400
ARG A 381
LEU A 384
ILE A 380
None
0.95A20.06
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2nq3 ITCHY HOMOLOG E3
UBIQUITIN PROTEIN
LIGASE
(Homo
sapiens)		5 / 12LEU A 106
SER A 108
LEU A 142
LEU A  79
ILE A 102
None
1.09A19.87
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2vkt CTP SYNTHASE 2
(Homo
sapiens)		5 / 12ASP A 365
LEU A 543
HIS A 330
LEU A 332
ILE A 301
None
1.09A23.03
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2xwu IMPORTIN13
(Homo
sapiens)		5 / 12LEU B 610
SER B 612
LEU B 651
LEU B 601
ILE B 606
None
1.06A17.31
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		3u88 LENS
EPITHELIUM-DERIVED
GROWTH FACTOR
(Homo
sapiens)		5 / 12LEU C 400
LEU C 377
SER C 409
LEU C 363
ILE C 359
None
1.00A17.15
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens)		5 / 12LEU A 242
LEU A 186
HIS A 264
LEU A 266
ILE A 269
None
1.02A22.76
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		4d61 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A
(Homo
sapiens)		5 / 12PHE i 522
HIS i 544
ARG i 609
LEU i 608
ILE i 615
None
1.10A24.55
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		5iy7 GENERAL
TRANSCRIPTION FACTOR
IIE SUBUNIT 1
(Homo
sapiens)		5 / 12ASP Q  35
LEU Q  32
LEU Q  52
LEU Q  37
ILE Q  36
None
1.10A20.00
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		5ol9 TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A 115
SER A 125
LEU A  77
ARG A  95
ILE A  99
None
1.03A15.19
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		5wbg CYTOCHROME P450 2B6
(Homo
sapiens)		5 / 12ASP A 266
LEU A 269
LEU A 288
LEU A 264
ILE A 265
None
1.10A14.29
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1ax8 OBESITY PROTEIN
(Homo
sapiens)		5 / 12LEU A 129
SER A 127
LEU A  65
MET A  68
ILE A  76
None
1.01A16.88
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1py5 TGF-BETA RECEPTOR
TYPE I
(Homo
sapiens)		5 / 12ASP A 351
LEU A 352
LEU A 316
LEU A 334
ILE A 349
PY1  A 700 (-2.7A)
None
None
None
None
1.12A22.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1skx ORPHAN NUCLEAR
RECEPTOR PXR
(Homo
sapiens)		7 / 12LEU A 240
SER A 247
PHE A 251
ARG A 410
LEU A 411
ILE A 414
MET A 425
RFP  A   1 (-3.5A)
RFP  A   1 (-3.1A)
RFP  A   1 (-4.7A)
RFP  A   1 ( 4.2A)
RFP  A   1 ( 4.7A)
RFP  A   1 ( 4.2A)
None
0.73A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1skx ORPHAN NUCLEAR
RECEPTOR PXR
(Homo
sapiens)		5 / 12MET A 243
PHE A 251
ARG A 410
LEU A 411
MET A 425
RFP  A   1 (-3.5A)
RFP  A   1 (-4.7A)
RFP  A   1 ( 4.2A)
RFP  A   1 ( 4.7A)
None
1.01A100.00
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		1w2d INOSITOL-TRISPHOSPHA
TE 3-KINASE A
(Homo
sapiens)		6 / 12LEU A 377
LEU A 400
MET A 265
ARG A 381
LEU A 384
ILE A 380
None
1.05A20.06
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C
(Homo
sapiens)		5 / 12LEU A 599
LEU A 622
MET A 487
ARG A 603
LEU A 606
None
1.13A21.22
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2nq3 ITCHY HOMOLOG E3
UBIQUITIN PROTEIN
LIGASE
(Homo
sapiens)		5 / 12LEU A 106
SER A 108
LEU A 142
LEU A  79
ILE A 102
None
1.09A19.87
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2vkt CTP SYNTHASE 2
(Homo
sapiens)		5 / 12ASP A 365
LEU A 543
HIS A 330
LEU A 332
ILE A 301
None
1.09A23.03
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		2xwu IMPORTIN13
(Homo
sapiens)		5 / 12LEU B 610
SER B 612
LEU B 651
LEU B 601
ILE B 606
None
1.08A17.31
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		3apm PROTEIN-ARGININE
DEIMINASE TYPE-4
(Homo
sapiens)		5 / 12LEU A 199
LEU A 185
MET A 247
HIS A 236
ILE A 269
None
1.12A19.45
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		3u88 LENS
EPITHELIUM-DERIVED
GROWTH FACTOR
(Homo
sapiens)		5 / 12LEU C 400
LEU C 377
SER C 409
LEU C 363
ILE C 359
None
1.01A17.15
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE
(Homo
sapiens)		5 / 12LEU A 242
LEU A 186
HIS A 264
LEU A 266
ILE A 269
None
1.01A22.76
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		5c5b DCC-INTERACTING
PROTEIN 13-ALPHA
DCC-INTERACTING
PROTEIN 13-BETA
(Homo
sapiens)		5 / 12ASP B 122
LEU B 123
LEU B  33
ARG B 191
MET A  82
None
1.14A22.51
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		5ol9 TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A 115
SER A 125
LEU A  77
ARG A  95
ILE A  99
None
1.07A15.19