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.
4MM7_A_29JA603_1
(TRANSPORTER)		1r6u TRYPTOPHANYL-TRNA
SYNTHETASE
(Homo
sapiens)		5 / 10TYR A 100
VAL A  90
PHE A 339
GLY A  97
ASP A  86
None
1.36A22.83
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.
4MM7_A_29JA603_1
(TRANSPORTER)		3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN
(Homo
sapiens)		5 / 10VAL A  42
TYR A  33
SER A  53
GLY A  49
ASP A  35
None
1.46A15.34
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.
4MM7_A_29JA603_1
(TRANSPORTER)		5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens)		5 / 10VAL A 145
TYR A 155
PHE A 110
SER A 148
GLY A  97
None
1.31A21.99
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.
4MM7_A_29JA603_1
(TRANSPORTER)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		5 / 10ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
1.15A17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MM7_A_29JA603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		7 / 10TYR A  95
ASP A  98
TYR A 175
TYR A 176
SER A 438
GLY A 442
THR A 497
None
0.88A32.24
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.
4MMC_A_29JA603_1
(TRANSPORTER)		2p8e PPM1B BETA ISOFORM
VARIANT 6
(Homo
sapiens)		5 / 10VAL A  58
TYR A  59
GLY A 150
GLY A 136
ASP A  38
None
None
None
None
OCS  A 242 ( 2.7A)
1.43A19.04
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.
4MMC_A_29JA603_1
(TRANSPORTER)		2vpj KELCH-LIKE PROTEIN
12
(Homo
sapiens)		5 / 10VAL A 513
TYR A 512
GLY A 420
SER A 464
GLY A 480
None
1.33A18.74
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.
4MMC_A_29JA603_1
(TRANSPORTER)		3bvh FIBRINOGEN ALPHA
CHAIN
FIBRINOGEN BETA
CHAIN
(Homo
sapiens)		5 / 10TYR B 417
GLY B 258
SER B 446
GLY B 419
ASP A 153
None
1.42A20.04
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.
4MMC_A_29JA603_1
(TRANSPORTER)		3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)		5 / 10VAL A 597
TYR A 623
GLY A 570
SER A 582
GLY A 585
None
1.40A19.76
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.
4MMC_A_29JA603_1
(TRANSPORTER)		5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens)		5 / 10VAL A 145
TYR A 155
PHE A 110
SER A 148
GLY A  97
None
1.35A22.19
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.
4MMC_A_29JA603_1
(TRANSPORTER)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		5 / 10ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
None
1.02A18.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MMC_A_29JA603_1
(TRANSPORTER)		5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER
(Homo
sapiens)		7 / 10TYR A  95
ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 438
GLY A 442
None
0.70A31.21
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.
4MMC_A_29JA603_1
(TRANSPORTER)		6b67 PROTEIN PHOSPHATASE
1A
(Homo
sapiens)		5 / 10VAL A  58
TYR A  59
GLY A 145
GLY A 131
ASP A  38
None
1.42A10.33
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.
4MMC_A_29JA603_1
(TRANSPORTER)		6f39 COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)		5 / 10ASP A 226
TYR A 197
GLY A 252
PHE A 223
SER A 278
 CA  A 303 (-3.2A)
None
None
None
CA  A 303 ( 3.8A)
1.04A9.43
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.
4MMC_A_29JA604_1
(TRANSPORTER)		1nkp MAX PROTEIN
(Homo
sapiens)		4 / 7LEU B 267
ASP B 266
ASP B 263
THR B 259
None
0.88A9.25
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.
4MMC_A_29JA604_1
(TRANSPORTER)		1q7l AMINOACYLASE-1
(Homo
sapiens)		4 / 7ILE B 390
PHE B 362
LEU B 336
THR A 181
None
0.99A12.47
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.
4MMC_A_29JA604_1
(TRANSPORTER)		1xwd FOLLICLE STIMULATING
HORMONE RECEPTOR
(Homo
sapiens)		4 / 7ILE C 160
PHE C 190
LEU C 177
THR C 228
None
1.08A19.19
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.
4MMC_A_29JA604_1
(TRANSPORTER)		2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens)		4 / 7ARG A  36
ILE A  53
PHE A  29
LEU A  57
None
0.90A21.54
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.
4MMC_A_29JA604_1
(TRANSPORTER)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 7ILE A 346
PHE A 237
LEU A 224
THR A 385
None
0.93A22.00
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.
4MMC_A_29JA604_1
(TRANSPORTER)		3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG
(Homo
sapiens)		4 / 7ILE A 790
PHE A 698
LEU A 749
ASP A 747
None
ADP  A   3 (-4.5A)
None
ADP  A   3 (-3.4A)
1.07A18.60
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.
4MMC_A_29JA604_1
(TRANSPORTER)		3fe1 HEAT SHOCK 70 KDA
PROTEIN 6
(Homo
sapiens)		4 / 7ILE A 333
PHE A 356
LEU A 323
ASP A 329
None
1.10A22.78
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.
4MMC_A_29JA604_1
(TRANSPORTER)		3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG
(Homo
sapiens)		4 / 7ILE A 790
PHE A 698
LEU A 749
ASP A 747
None
SAH  A 854 (-4.3A)
SAH  A 854 ( 4.9A)
SAH  A 854 (-3.6A)
1.10A20.44
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.
4MMC_A_29JA604_1
(TRANSPORTER)		3swl CHLORIDE
INTRACELLULAR
CHANNEL PROTEIN 1
(Homo
sapiens)		4 / 7ARG A 204
ILE A 199
ASP A 141
THR A 145
None
0.83A18.96
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.
4MMC_A_29JA604_1
(TRANSPORTER)		4ay9 FOLLICLE-STIMULATING
HORMONE RECEPTOR
(Homo
sapiens)		4 / 7ILE X 160
PHE X 190
LEU X 177
THR X 228
None
1.04A19.73
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.
4MMC_A_29JA604_1
(TRANSPORTER)		4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4
(Homo
sapiens)		4 / 7ILE A  63
LEU A  67
ASP A 261
THR A 259
None
1.08A20.08
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.
4MMC_A_29JA604_1
(TRANSPORTER)		4nen INTEGRIN ALPHA-X
(Homo
sapiens)		4 / 7ILE A 553
PHE A 565
LEU A 594
THR A 507
None
1.02A19.00
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.
4MMC_A_29JA604_1
(TRANSPORTER)		4rwt LEIOMODIN-2
(Homo
sapiens)		4 / 7ARG C 270
ILE C 256
LEU C 232
THR C 212
None
1.04A20.80
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.
4MMC_A_29JA604_1
(TRANSPORTER)		5dpw MICROTUBULE-ASSOCIAT
ED PROTEINS 1A/1B
LIGHT CHAIN 3C
(Homo
sapiens)		4 / 7ILE A  63
PHE A  48
LEU A  43
ASP A  44
None
1.04A13.72
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.
4MMC_A_29JA604_1
(TRANSPORTER)		5e6s INTEGRIN ALPHA-L
(Homo
sapiens)		4 / 7ILE A 544
PHE A 556
LEU A 585
THR A 501
None
1.07A20.86
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.
4MMC_A_29JA604_1
(TRANSPORTER)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		4 / 7ARG A 262
ILE A 347
LEU A 357
ASP A 598
None
1.08A21.75
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.
4MMC_A_29JA604_1
(TRANSPORTER)		5ydf PARAFIBROMIN
(Homo
sapiens)		4 / 7ILE A  60
LEU A  94
ASP A  93
ASP A  90
None
1.06A9.86