Ligand ID: 29J


Drugbank ID:
DB06700
(Desvenlafaxine)


Indication:
Desvenlafaxine is indicated for the treatment of major depressive disorder in adults.

Get human targets for 29J in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '29J' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4MMC_A_29JA604_1
(TRANSPORTER)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
ARG A 217
ILE A 281
LEU A 208
THR A 257
1.32A20.38
None
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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 10
VAL B 157
GLY B  11
SER B 113
GLY B 149
ASP B 155
1.78A20.38
None
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)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 153
SER A 158
GLY A 149
ASP A 295
THR A 292
1.73A21.26
None
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ILE B1281
PHE B1219
LEU B1271
THR B1201
1.30A20.19
None
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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 7
ARG B 298
ILE B 213
LEU B 253
THR B 292
1.34A20.38
None
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)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 7
ILE F 345
PHE F 325
LEU F 499
THR F 372
1.28A13.61
None
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)		2ajf ACE2
(Homo
sapiens)		5 / 10
TYR B 217
VAL B 226
TYR B 516
GLY B 220
THR B 229
1.72A21.75
None
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)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 217
ILE B 281
LEU B 208
THR B 257
1.34A21.05
None
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)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ILE B 916
LEU D1179
ASP D1181
ASP F1181
1.27A4.87
ACE  B 913 ( 3.9A)
ACE  B 913 ( 4.8A)
None
ACE  B 913 ( 3.7A)
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)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		4 / 7
ARG A 217
ILE A 281
LEU A 208
THR A 257
1.29A20.00
None
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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.78A22.39
None
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)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR D  53
ASP D  99
TYR D  59
GLY C 488
GLY D  55
1.69A18.25
None
None
None
CL  C  20 ( 4.9A)
None
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)		2gri NSP3
(SARSr-CoV)		4 / 7
ILE A  24
LEU A  36
ASP A  29
ASP A  33
1.30A15.11
None
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)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
ILE A 305
PHE A 308
LEU A 354
THR B 333
1.29A12.74
None
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)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A 583
ASP A 552
VAL A 611
SER A 585
GLY A 609
1.63A16.57
None
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)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A 583
ASP A 552
VAL A 611
SER A 585
GLY A 609
1.78A17.42
None
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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 7
ARG A 217
ILE A 281
LEU A 208
THR A 257
1.34A20.38
None
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)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		4 / 7
ILE A 281
PHE A 219
LEU A 271
THR A 201
1.35A20.66
None
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)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ARG A 217
ILE A 281
LEU A 208
THR A 257
1.34A21.31
None
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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 217
ILE B 281
LEU B 208
THR B 257
1.28A20.30
None
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)		2wct NSP3
(SARSr-CoV)		4 / 7
ILE C 560
PHE C 580
LEU C 533
THR C 612
1.27A18.70
None
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)		2wct NSP3
(SARSr-CoV)		5 / 10
ASP B 416
VAL B 445
SER B 461
GLY B 466
ASP B 447
1.72A18.70
None
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)		2wct NSP3
(SARSr-CoV)		5 / 10
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.77A18.70
None
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)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
TYR B  96
VAL A  44
SER B  67
GLY B  69
THR A  48
1.26A12.94
None
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)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
ILE A 128
LEU A  85
ASP A  97
THR A 110
1.33A19.77
None
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)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 153
SER A 158
GLY A 149
ASP A 295
THR A 292
1.72A20.19
None
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)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
ARG H  40
ILE H  48
LEU H  82
ASP H  86
1.33A16.80
None
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)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR A 217
VAL A 226
TYR A 516
GLY A 220
THR A 229
1.65A21.51
None
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)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR F 484
GLY F 482
SER F 487
GLY B 352
ASP F 393
1.67A13.95
None
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)		3e9s NSP3
(SARSr-CoV)		5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.69A22.35
None
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)		3e9s NSP3
(SARSr-CoV)		5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.67A22.20
None
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)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 298
ILE B 213
LEU B 253
THR B 292
1.28A20.00
None
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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 217
ILE B 281
LEU B 208
THR B 257
1.32A19.81
None
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)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
ILE C 281
PHE A 219
LEU C 271
THR A 201
1.34A12.77
None
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)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 217
ILE B 281
LEU B 208
THR B 257
1.31A20.86
None
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 298
ILE B 213
LEU B 253
THR B 292
1.30A20.87
None
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP B 153
SER B 158
GLY B 149
ASP B 295
THR B 292
1.72A20.87
None
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)		3i6g HLA, A-2
(Homo
sapiens)		4 / 7
ARG A  97
LEU A  81
ASP A  77
THR A  73
1.01A17.36
None
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)		3i6l HLA, A-24
(Homo
sapiens)		5 / 10
VAL D 165
GLY D 112
PHE D 109
SER D   4
GLY D 104
1.79A19.19
None
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)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR D 159
TYR D 116
PHE F   2
GLY D 100
ASP D  74
1.58A20.15
None
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)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP A 153
SER A 158
GLY A 149
ASP C 295
THR C 292
1.73A20.19
None
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)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 10
TYR B  96
VAL A  44
SER B  67
GLY B  69
THR A  48
1.28A13.36
None
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)		3scj ACE2
(Homo
sapiens)		5 / 10
TYR B 217
VAL B 226
TYR B 516
GLY B 220
THR B 229
1.68A21.65
None
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)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR A 217
VAL A 226
TYR A 516
GLY A 220
THR A 229
1.65A21.25
None
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG B 217
ILE B 281
LEU B 208
THR B 257
1.30A21.19
None
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)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
VAL A 157
GLY A  11
SER A 113
GLY A 149
ASP A 155
1.79A20.35
None
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)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.66A22.20
None
None
None
DMS  B 903 (-4.0A)
None
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)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 10
TYR A  36
TYR A  73
TYR A  84
GLY A  82
ASP A  13
1.67A22.35
None
None
None
DMS  B 903 (-4.0A)
None
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)		4twy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
VAL A 296
GLY A   2
PHE A   3
SER A 301
ASP A 295
1.69A20.00
None
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)		4twy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG A 217
ILE A 281
LEU A 208
THR A 257
1.33A20.00
None
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)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
VAL B 389
TYR B 368
PHE B 367
GLY B 333
ASP B 390
1.80A21.35
SAM  B 605 ( 4.8A)
None
SAM  B 605 (-3.1A)
SAM  B 605 (-3.7A)
None
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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR A  73
PHE A  57
GLY A  82
ASP A  13
THR A  11
1.79A22.30
None
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
ASP M  82
VAL A 125
TYR A 124
ASP A 126
THR A 127
1.77A15.17
None
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ARG C 310
ILE C 397
LEU C 329
ASP C 331
1.33A21.09
None
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR D  36
TYR D  73
TYR D  84
GLY D  82
ASP D  13
1.61A22.22
None
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR D  36
TYR D  73
TYR D  84
GLY D  82
ASP D  13
1.61A22.08
None
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ARG B 553
ILE B 573
PHE C 837
ASP C 727
1.29A17.40
None
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)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
VAL A 625
TYR B  64
PHE B 279
GLY B 331
ASP A 580
1.66A17.67
None
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)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
VAL A 625
TYR B  64
PHE B 279
GLY B 331
ASP A 580
1.72A17.77
None
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)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ILE A 800
LEU A 803
ASP A 802
THR A 795
1.35A17.24
None
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)		6acg ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 180
TYR D 183
GLY D 200
1.78A21.54
None
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR B 660
VAL B 642
TYR B 677
SER B 659
ASP B 643
1.18A17.24
None
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR B 660
VAL B 642
TYR B 677
SER B 659
ASP B 643
1.21A18.37
None
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ILE A 800
LEU A 803
ASP A 802
THR A 795
1.28A16.94
None
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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ILE A 573
PHE A 527
LEU A 538
THR A 567
1.29A17.42
None
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)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP A 171
VAL A 140
PHE A 238
GLY A 145
THR A 236
1.52A17.42
None
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)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP B  57
VAL B 186
TYR B 197
TYR B  41
GLY B  39
1.66A17.42
None
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)		6cs2 ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 180
TYR D 183
GLY D 200
1.72A21.93
None
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)		6m17 ACE2
(Homo
sapiens)		5 / 10
TYR D 217
VAL D 226
TYR D 516
GLY D 220
THR D 229
1.78A21.02
None
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)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
VAL C 125
TYR C 128
TYR C 129
PHE C 283
SER C 431
0.76A27.17
None
None
LEU  C 707 ( 3.9A)
LEU  C 707 (-3.8A)
LEU  C 707 (-4.2A)
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)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
VAL C 125
TYR C 128
TYR C 129
PHE C 283
SER C 431
0.71A26.79
None
None
LEU  C 707 ( 3.9A)
LEU  C 707 (-3.8A)
LEU  C 707 (-4.2A)
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)		6m1d ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 183
GLY D 200
PHE D 464
1.67A21.02
None
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)		6m1d ACE2
(Homo
sapiens)		5 / 7
ILE D 358
PHE D 308
LEU D 333
ASP D 303
ASP D 368
1.43A21.02
None
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ILE B 800
LEU B 803
ASP B 802
THR B 795
1.33A17.02
None
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.50A17.02
None
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)		6nur NSP12
NSP8
(SARSr-CoV)		4 / 7
ILE B 185
PHE A 407
ASP A 390
THR A 393
1.21A16.17
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10
TYR H  59
TYR H  90
GLY H  65
GLY H  49
ASP H  86
1.75A15.57
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10
TYR H  90
GLY H  65
SER H  60
GLY H  49
ASP H  86
1.43A15.57
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
ILE H  34
PHE H  29
LEU H   4
THR H 104
1.59A
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR H  94
GLY H  66
SER H  61
GLY H  49
ASP H  90
1.39A18.11
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR B  94
GLY B  66
SER B  61
GLY B  49
ASP B  90
1.40A18.11
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR B  60
TYR B  94
GLY B  66
GLY B  49
ASP B  90
1.77A18.11
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR H  60
TYR H  94
GLY H  66
GLY H  49
ASP H  90
1.78A18.11
None
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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 10
TYR H  94
GLY H  66
SER H  61
GLY H  49
ASP H  90
1.41A17.60
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
TYR B  60
TYR B  94
GLY B  66
GLY B  49
ASP B  90
1.77A18.11
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
TYR H  60
TYR H  94
GLY H  66
GLY H  49
ASP H  90
1.79A18.11
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
ILE H  34
PHE H  29
LEU H   4
THR H 104
1.60A
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
ILE B  34
PHE B  29
LEU B   4
THR B 104
1.60A
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
TYR H  94
GLY H  66
SER H  61
GLY H  49
ASP H  90
1.39A18.11
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 10
TYR B  94
GLY B  66
SER B  61
GLY B  49
ASP B  90
1.40A18.11
None