Ligand ID: COC


Drugbank ID:
DB00907
(Cocaine)


Indication:
For the introduction of local (topical) anesthesia of accessible mucous membranes of the oral, laryngeal and nasal cavities.

Get human targets for COC in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'COC' 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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
TYR A  89
TYR A  65
TYR A  90
GLN A  61
1.77A19.92
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.
1I7Z_A_COCA301_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		4 / 5
TYR A  99
TYR A   9
PRO C   5
ASP A  74
1.66A20.61
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 7
TYR A 209
TYR A  27
TYR B  63
PHE A 241
1.44A22.42
20.07
None
GOL  A5003 (-3.2A)
None
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		1x7q HLA, A-11
(Homo
sapiens)		4 / 6
TYR A   7
TYR A  27
TYR A   9
GLN A  96
1.56A20.98
None
GOL  A5003 (-3.2A)
None
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA B1145
TYR B1054
GLY B1174
PHE B1181
GLY B1179
1.15A20.39
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2ajf ACE2
(Homo
sapiens)		4 / 8
TYR A  41
LEU A  45
LEU A  39
TRP A  69
1.50A16.84
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2ajf ACE2
(Homo
sapiens)		4 / 6
TYR A 521
TYR A 217
TYR A 516
ILE A 513
1.75A16.86
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 11
ALA F 309
GLY E 322
PHE F 287
SER E 319
GLY F 285
1.56A12.11
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.
1I7Z_A_COCA301_2
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION
CHIMERA OF IG
GAMMA-1 CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
TYR A 269
GLU B 168
PRO B 248
ASP B 165
1.73A21.98
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 150
TYR A  72
TYR A  73
GLY A  39
PHE A  57
1.55A18.75
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR B 214
LEU B 217
LEU B 212
SER B 246
1.35A19.88
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
HIS A   2
LEU A 112
SER A  67
GLU A  76
1.45A19.73
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 7
ALA D 166
TYR D 168
TYR D 102
PHE D 230
1.32A36.33
25.77
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2gri NSP3
(SARSr)		4 / 8
LEU A  80
SER A  84
GLU A  60
TRP A  83
1.36A21.89
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.
4XPB_A_COCA702_1
(TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 10
PHE A 203
ASP A 199
VAL A 294
TYR A 278
GLY A 253
1.41A20.34
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 11
PHE A 203
ASP A 199
VAL A 294
TYR A 278
GLY A 253
1.50A20.59
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2kys NSP7
(SARSr-CoV)		4 / 8
HIS A  38
LEU A  42
LEU A  15
SER A  12
1.49A17.84
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 6
TYR A 113
TYR A  88
GLN A 161
ILE A  75
1.77A17.67
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
TYR B 225
LEU B 214
SER B 207
GLU A 170
1.52A19.36
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.
4XPB_A_COCA702_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
PHE F 203
ASP F 199
VAL F 294
TYR F 278
GLY F 253
1.50A20.22
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2w2g NSP3
(SARSr)		4 / 8
TYR B 512
LEU B 407
LEU B 411
GLU B 403
1.49A21.94
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2wct NSP3
(SARSr-CoV)		4 / 8
TYR C 512
LEU C 407
LEU C 411
GLU C 403
1.34A21.94
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
ALA A 192
TYR A 228
ARG A 232
TYR A 132
1.48A19.66
22.45
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
TYR A 228
TYR A  15
GLN A   3
ILE A 237
1.73A21.15
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
LEU A 153
SER A 129
GLU A 203
1.50A21.21
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
TYR A 228
TYR A  15
GLN A   3
ILE A 237
1.70A21.34
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
LEU A 153
SER A 129
GLU A 203
1.48A21.21
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
ALA A 192
TYR A 228
ARG A 232
TYR A 132
1.49A19.52
22.45
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
TYR L  86
LEU L  73
LEU L  89
SER L  34
0.89A58.53
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3d0g ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA F 430
VAL B  45
TYR F 484
GLY F 488
GLY B 352
1.47A15.60
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA F 430
VAL B  45
TYR F 484
GLY F 488
GLY B 352
1.54A15.60
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA F 430
VAL B  45
TYR F 484
GLY F 488
GLY B 352
1.54A15.20
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		3e9s NSP3
(SARSr-CoV)		4 / 8
TYR A 214
LEU A 217
LEU A 212
SER A 246
1.35A19.69
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		3e9s NSP3
(SARSr-CoV)		4 / 7
TYR A 297
ARG A 285
TYR A 284
PHE A 259
1.57A21.38
17.59
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 11
ALA A 150
TYR A  72
TYR A  73
GLY A  39
PHE A  57
1.54A18.72
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 6
TYR C   6
TYR A 159
TYR A 116
GLN A 115
1.75A6.34
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		3i6g HLA, A-2
(Homo
sapiens)		4 / 7
ARG D  97
TYR D 123
TYR D  84
TYR D  85
1.02A23.16
20.76
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
TYR A 118
TYR A  84
TYR A 116
ILE A 124
1.35A20.85
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 7
TYR D 209
TYR D  27
TYR E  63
PHE D 241
1.43A22.42
21.91
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA A 146
TYR A  72
GLY A  39
PHE A  57
GLY A  82
1.50A18.72
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR B 155
LEU B 151
LEU B 121
GLU B 135
1.35A19.82
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
TYR A 228
TYR A  15
GLN A   3
ILE A 237
1.72A20.45
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
LEU A 206
LEU A 153
SER A 129
GLU A 203
1.46A19.94
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		3scj ACE2
(Homo
sapiens)		4 / 8
TYR B  41
LEU B  45
LEU B  39
TRP B  69
1.40A16.44
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3scj ACE2
(Homo
sapiens)		4 / 6
TYR A 521
TYR A 217
TYR A 516
ILE A 513
1.80A16.75
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
TYR B 521
TYR B 217
TYR B 516
ILE B 513
1.71A15.94
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
ALA F 430
VAL B  45
TYR F 484
GLY F 488
GLY B 352
1.56A15.41
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR A 214
LEU A 217
LEU A 212
SER A 246
1.37A19.57
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ARG A 222
TYR A 237
TYR A 239
PHE A 230
1.51A24.37
22.39
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA B 145
TYR B  54
GLY B 174
PHE B 181
GLY B 179
1.19A20.39
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS B  26
LEU B  27
LEU B  38
GLU B   2
1.19A18.99
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.
4XPB_A_COCA702_1
(TRANSPORTER)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
TYR B 124
TYR B 197
GLY B  59
PHE B  60
SER B 194
1.72A21.96
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ALA B 214
ARG B 205
TYR B 235
PHE B 233
1.55A18.90
17.39
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ALA D 214
ARG D 205
TYR D 235
PHE D 233
1.53A18.90
17.36
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr)		4 / 8
TYR B  51
LEU B  18
SER B  28
GLU A   6
1.41A18.99
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr)		4 / 8
HIS D 487
TYR D 446
SER D 450
GLU D 453
1.31A18.99
 ZN  D 603 (-2.0A)
None
None
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.
4XPB_A_COCA702_1
(TRANSPORTER)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
TYR D 124
TYR D 197
GLY D  59
PHE D  60
SER D 194
1.64A22.13
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
HIS D 487
TYR D 446
SER D 450
GLU D 453
1.23A18.99
 ZN  D 603 (-2.9A)
None
None
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 150
TYR A  72
TYR A  73
GLY A  39
PHE A  57
1.48A18.41
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR A 214
LEU A 217
LEU A 212
SER A 246
1.45A19.58
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
HIS B  26
LEU B  27
LEU B  38
GLU B   2
1.29A18.99
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ALA A 214
TYR A 224
ARG A 205
TYR A  64
1.45A18.80
17.16
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.
4XPB_A_COCA702_1
(TRANSPORTER)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 10
TYR B 124
TYR B 197
GLY B  59
PHE B  60
SER B 194
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR B 214
LEU B 217
LEU B 212
SER B 246
1.37A19.22
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TYR D 297
ARG D 285
TYR D 284
PHE D 259
1.59A21.38
17.54
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
HIS A1046
LEU A1045
SER A1033
GLU A1013
1.44A11.86
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5x4r S PROTEIN
(MERS-CoV)		4 / 7
TYR A 293
TYR A 105
TYR A  87
PHE A 147
1.47A22.70
20.06
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.
4XPB_A_COCA702_1
(TRANSPORTER)		5x4r S PROTEIN
(MERS-CoV)		5 / 10
VAL A 109
TYR A 292
PHE A 164
SER A 152
GLY A 154
1.73A21.34
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
TYR A  53
TYR A 195
TYR A 197
PHE A  59
1.59A22.53
21.65
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
TYR A 855
LEU A1016
SER A1012
GLU A 762
1.48A9.70
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5x59 S PROTEIN
(MERS-CoV)		4 / 7
TYR A 293
TYR A 105
TYR A  87
PHE A 147
1.48A11.26
11.23
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.
4XPB_A_COCA702_1
(TRANSPORTER)		5x59 S PROTEIN
(MERS-CoV)		5 / 10
VAL C 109
TYR C 292
PHE C 164
SER C 152
GLY C 154
1.72A18.18
None
None
None
NAG  C1408 ( 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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
TYR C  53
ARG B 553
TYR C 195
TYR C 197
1.30A10.82
10.99
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ALA C 633
VAL C 606
ASP C 605
GLY C 580
PHE C 305
1.21A18.27
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.
2PGZ_A_COCA401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
TYR B 523
TYR B 469
THR C 259
GLN B 576
ILE B 442
1.74A9.91
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
LEU B 347
LEU B 324
SER B 353
GLU B 357
1.43A10.36
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
TYR C1142
TYR C1141
GLN C1110
ILE C1123
1.70A9.91
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP A  44
ASP A 267
TYR A 266
GLY B 552
GLY A 270
1.35A18.05
ASP  A  44 ( 0.6A)
ASP  A 267 ( 0.6A)
TYR  A 266 ( 1.3A)
GLY  B 552 ( 0.0A)
GLY  A 270 ( 0.0A)
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR B 442
TYR B 408
GLN B 396
ILE B 405
1.75A11.31
TYR  B 442 ( 1.3A)
TYR  B 408 ( 1.3A)
GLN  B 396 ( 0.6A)
ILE  B 405 ( 0.7A)
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
TYR A 214
LEU A 217
LEU A 212
SER A 246
1.35A19.70
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
ALA A 140
ARG A 139
TYR A  73
TYR A 155
1.59A21.23
17.93
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL C1022
ASP C1023
TYR C1029
GLY B 867
GLY B 871
1.32A18.05
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR C 598
LEU C 283
LEU C 597
GLU C 593
1.44A11.86
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6acg ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 180
TYR D 183
GLY D 200
1.67A21.13
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP C  57
TYR C 197
TYR C  41
GLY C  86
GLY C  39
1.56A17.96
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6acg ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
ASP D 355
ASP D  38
TYR D  41
GLY C 490
GLY C 482
1.57A21.37
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 899
TYR C 886
GLN C 883
ILE C 878
1.76A11.31
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
TYR C 886
ARG A1089
TYR C 771
TYR A 689
1.15A11.46
11.35
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
PHE B 262
ASP B  57
VAL B 186
TYR B  41
GLY B  39
1.72A18.04
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ALA A 633
VAL A 606
ASP A 605
GLY A 580
PHE A 305
1.42A18.12
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ARG B  48
TYR B 195
TYR B 197
PHE B  59
1.50A11.68
10.68
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ALA B 371
TYR B 352
TYR B 410
PHE B 329
1.09A11.68
11.37
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
VAL C 254
TYR C 256
GLY C  77
PHE C  69
GLY C  68
1.49A18.33
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ALA B 633
VAL B 606
ASP B 605
GLY B 580
PHE B 305
1.27A18.42
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR C 338
TYR C 481
GLN C 396
ILE C 405
1.58A11.65
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR C 855
LEU C1016
SER C1012
GLU C 762
1.48A10.44
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6cs2 ACE2
(Homo
sapiens)		4 / 8
TYR D 516
TYR D 515
LEU D 450
GLU D 406
1.51A16.64
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6cs2 ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 180
TYR D 183
GLY D 200
1.69A21.41
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6cs2 ACE2
(Homo
sapiens)		4 / 6
TYR D 521
TYR D 217
TYR D 516
ILE D 513
1.66A16.75
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6cs2 ACE2
(Homo
sapiens)		4 / 7
ALA D 403
TYR D 217
TYR D 207
PHE D 400
1.46A16.99
17.53
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
LEU A 168
LEU A 110
SER A   2
GLU A 180
1.49A24.62
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 7
TYR A  74
ARG A  97
TYR A 123
TYR A  84
TYR A  85
1.70A21.00
21.60
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6jyt HELICASE
(SARSr-CoV)		4 / 6
TYR A 269
TYR A 299
GLN A 354
ILE A 304
1.42A17.39
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6jyt HELICASE
(SARSr-CoV)		4 / 7
ALA A 152
ARG A 173
TYR A 149
PHE A 182
1.59A17.59
18.47
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6jyt HELICASE
(SARSr-CoV)		5 / 11
ASP A 369
ALA A 302
VAL A 372
TYR A 306
GLY A 273
1.52A22.83
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
PHE C  48
TYR C 129
PHE C 283
SER C 431
GLY C 434
1.28A35.34
LEU  C 707 (-4.7A)
LEU  C 707 ( 3.9A)
LEU  C 707 (-3.8A)
LEU  C 707 (-4.2A)
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
ALA A 406
ARG A 328
TYR A 139
PHE A 420
1.21A16.09
15.50
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XPB_A_COCA702_1
(TRANSPORTER)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		6 / 10
PHE C  48
VAL C 125
TYR C 128
TYR C 129
PHE C 283
SER C 431
0.67A35.50
LEU  C 707 (-4.7A)
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6m18 ACE2
(Homo
sapiens)		4 / 8
TYR D  41
LEU D  45
LEU D  39
TRP D  69
1.51A14.67
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6m1d ACE2
(Homo
sapiens)		5 / 10
ASP D 509
VAL D 184
TYR D 183
GLY D 200
PHE D 464
1.70A20.27
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.
1I7Z_C_COCC302_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6m1d ACE2
(Homo
sapiens)		5 / 9
TYR D 497
TYR D 127
LEU D 503
GLU D 166
TRP D 271
1.78A14.67
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m1d ACE2
(Homo
sapiens)		4 / 6
TYR D 207
TYR D 516
TYR D 521
GLN D 522
1.44A14.32
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.
4XPB_A_COCA702_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.53A18.22
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 899
TYR C 886
GLN C 883
ILE C 878
1.75A10.96
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.50A18.22
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.
2PGZ_A_COCA401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6nur NSP12
(SARSr-CoV)		5 / 11
TYR A 453
CYH A 669
TYR A 674
THR A 556
GLN A 408
1.75A13.02
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		6nur NSP12
(SARSr-CoV)		4 / 8
HIS A 347
TYR A 273
SER A 318
GLU A 278
1.41A11.65
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6nus NSP12
(SARSr-CoV)		4 / 7
ALA A 250
ARG A 183
TYR A 237
PHE A 287
1.35A13.06
13.19
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
ASP A 355
ASP A  38
TYR A  41
GLY E 504
GLY E 496
1.55A21.42
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
TYR L  91
TYR L  27
TYR L  96
ILE H  98
1.55A22.69
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR L  97
TYR L  31
TYR L 102
ILE H 102
1.53A
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
ALA C  40
TYR C  42
TYR C  38
TYR C  98
1.64A
None
None
None
DMS  C 303 (-3.8A)
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR C  97
TYR C  31
TYR C 102
ILE B 102
1.54A
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
ALA L  40
TYR L  42
TYR L  38
TYR L  98
1.64A
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR L  97
TYR L  31
TYR L 102
ILE H 102
1.62A
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
TYR L  97
TYR L  31
TYR L 102
ILE H 102
1.53A
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
ALA C  40
TYR C  42
TYR C  38
TYR C  98
1.64A
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.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
ALA L  40
TYR L  42
TYR L  38
TYR L  98
1.63A
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
TYR C  97
TYR C  31
TYR C 102
ILE B 102
1.52A
None