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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		2yps SORTING NEXIN-3
(Homo
sapiens)		5 / 11PHE A 144
LEU A  92
GLY A 121
ILE A  51
VAL A  33
None
1.17A17.78
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR
(Homo
sapiens)		5 / 11VAL A1051
GLY A1151
ASP A1117
ILE A1118
VAL A1121
None
1.16A21.32
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		3j7y BL21
(Homo
sapiens)		5 / 11LEU S 149
VAL S 136
THR S 142
VAL S  83
ILE S  87
None
1.12A19.85
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1
(Homo
sapiens)		5 / 11VAL A 149
GLY A 150
VAL A 110
ASP A  36
ILE A  40
None
1.18A17.63
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		4h6y FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 11PHE A 998
VAL A 954
GLY A 937
VAL A1023
ILE A1024
None
1.19A23.06
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.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		5ddb MENIN
(Homo
sapiens)		5 / 11PHE A 146
GLY A  99
VAL A 121
ILE A 125
VAL A 124
None
1.20A23.05
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		1tzn ANTHRAX TOXIN
RECEPTOR 2
(Homo
sapiens)		4 / 6SER a1081
ILE a1083
ALA a1127
ALA a1134
None
0.96A17.29
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		2akz GAMMA ENOLASE
(Homo
sapiens)		4 / 6SER A 114
ALA A 352
THR A 322
ALA A  45
None
0.92A22.16
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		2qnd FMR1 PROTEIN
(Homo
sapiens)		4 / 6SER A 128
ILE A 129
ALA A  67
ALA A  18
None
0.93A15.47
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 6ARG A 125
ILE A 132
ALA A 161
THR A 212
None
0.98A21.02
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3g4e REGUCALCIN
(Homo
sapiens)		4 / 6SER A 170
ILE A 202
ALA A 125
ALA A 119
None
0.79A20.74
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)		4 / 6ARG A 210
SER A 207
THR A   5
ALA A 433
None
0.92A22.96
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3ow8 WD REPEAT-CONTAINING
PROTEIN 61
(Homo
sapiens)		4 / 6SER A 153
ILE A 193
ALA A 208
ALA A 239
None
0.92A19.96
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6
(Homo
sapiens)		4 / 6ARG A 139
SER A 104
ILE A 105
ALA A 128
None
0.96A22.71
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3s8i PROTEIN DDI1 HOMOLOG
1
(Homo
sapiens)		4 / 6SER A 319
ILE A 298
ALA A 290
ALA A 263
None
0.95A14.38
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		3szb ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)		4 / 6SER A 367
ILE A 373
THR A 380
ALA A 350
None
0.89A23.23
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		4b18 IMPORTIN SUBUNIT
ALPHA-1
(Homo
sapiens)		4 / 6ARG A 397
ALA A 443
THR A 405
ALA A 400
None
0.97A20.95
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		4b4o EPIMERASE FAMILY
PROTEIN SDR39U1
(Homo
sapiens)		4 / 6ILE A 195
ALA A 199
THR A 203
ALA A  22
None
0.85A19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		4ny4 CYTOCHROME P450 3A4
(Homo
sapiens)		6 / 6ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
ALA A 370
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
0.41A100.00
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		4uad IMPORTIN SUBUNIT
ALPHA-7
(Homo
sapiens)		4 / 6ARG A 395
ALA A 441
THR A 403
ALA A 398
None
0.96A21.54
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A
(Homo
sapiens)		4 / 6SER A 110
ILE A 182
ALA A 188
ALA A 195
SAH  A 301 (-3.1A)
SAH  A 301 ( 3.8A)
None
None
0.87A18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		5veu CYTOCHROME P450 3A5
(Homo
sapiens)		6 / 6ARG A 105
SER A 119
ILE A 301
ALA A 305
THR A 309
ALA A 370
HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
RIT  A 602 ( 4.9A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
0.69A83.33
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		5vhs 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 3
(Homo
sapiens)		4 / 6SER V 415
ILE V 447
ALA V 441
ALA V 434
None
0.79A24.38
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		1f5n INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 6LEU A 118
ILE A 304
ALA A 303
THR A 299
ALA A 315
None
1.01A22.50
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		1m76 3-HYDROXYACYL-COA
DEHYDROGENASE
(Homo
sapiens)		4 / 6LEU A 118
ILE A 108
ALA A 107
ALA A 133
None
NAD  A 350 (-3.7A)
NAD  A 350 (-4.3A)
None
0.70A24.19
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		5 / 6LEU A 219
ILE A 301
ALA A 302
THR A 306
ALA A 367
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
0.83A26.49
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		2q9g CYTOCHROME P450 46A1
(Homo
sapiens)		5 / 6VAL A 126
ILE A 301
ALA A 302
THR A 306
ALA A 367
HEM  A 505 ( 3.8A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
0.49A26.49
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)		4 / 6LEU A  32
ILE A  60
ALA A  61
ALA A 147
None
0.76A21.31
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL
(Homo
sapiens)		4 / 6VAL B  50
LEU B  96
ILE B  68
ALA B  67
None
0.75A20.48
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		2akz GAMMA ENOLASE
(Homo
sapiens)		4 / 6SER A 114
ALA A 352
THR A 322
ALA A  45
None
0.99A12.39
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2
(Homo
sapiens)		4 / 6ARG A 197
SER A 178
ARG A 149
THR A  90
None
1.12A9.15
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		2iy0 RAN
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		4 / 6SER C 477
ALA C 472
THR C 461
ALA C 496
None
1.04A16.77
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		2oby PUTATIVE QUINONE
OXIDOREDUCTASE
(Homo
sapiens)		4 / 6SER A 151
ALA A 157
THR A 161
ALA A 186
NAP  A1400 (-3.7A)
None
None
None
1.13A15.85
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		3fm0 PROTEIN CIAO1
(Homo
sapiens)		4 / 6SER A  70
ALA A  77
THR A  85
ALA A 121
None
1.15A12.28
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)		4 / 6ARG A 210
SER A 207
THR A   5
ALA A 433
None
0.80A8.87
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4b18 IMPORTIN SUBUNIT
ALPHA-1
(Homo
sapiens)		4 / 6ARG A 397
ALA A 443
THR A 405
ALA A 400
None
1.01A10.32
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4i8v CYTOCHROME P450 1A1
(Homo
sapiens)		4 / 6ARG A 106
SER A 122
ALA A 317
THR A 321
HEM  A 601 (-2.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
1.14A8.85
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4irv CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN
APOPTOSIS-STIMULATIN
G OF P53 PROTEIN 2
(Helicobacter
pylori;
Homo
sapiens)		4 / 6SER A 110
ALA A 168
THR A 126
ALA E 760
None
1.06A12.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4ny4 CYTOCHROME P450 3A4
(Homo
sapiens)		5 / 6ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
HEM  A 601 ( 2.8A)
2QH  A 602 (-3.9A)
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
0.38A97.47
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4u2x IMPORTIN SUBUNIT
ALPHA-6
(Homo
sapiens)		4 / 6ARG D 398
ALA D 444
THR D 406
ALA D 401
None
1.03A14.77
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4uad IMPORTIN SUBUNIT
ALPHA-7
(Homo
sapiens)		4 / 6ARG A 395
ALA A 441
THR A 403
ALA A 398
None
0.97A10.62
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		4wwr LARGE PROLINE-RICH
PROTEIN BAG6
UBIQUITIN-LIKE
PROTEIN 4A
(Homo
sapiens;
Homo
sapiens)		4 / 6ARG B 125
SER B 126
ALA A1060
ALA A1067
None
1.13A13.75
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		5m32 PROTEASOME SUBUNIT
BETA TYPE-2
(Homo
sapiens)		4 / 6SER J  39
ALA J  80
THR J  84
ALA J  57
None
1.16A18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		5veu CYTOCHROME P450 3A5
(Homo
sapiens)		5 / 6ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
0.75A76.25