Ligand ID: P77


Drugbank ID:
DB00433
(Prochlorperazine)


Indication:
For the symptomatic management of psychotic disorders, short term management of nonpsychotic anxiety in patients with generalized anxiety disorder, and for the control of severe nausea and vomiting of various causes.

Get human targets for P77 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'P77' 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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B 123
PHE B 140
SER B 147
LEU B  27
1.42A15.99
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 9
SER B  28
ILE B   7
PHE B  30
ASP B  59
SER B  57
1.79A21.85
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 10
SER B  28
ILE B   7
PHE B  30
ASP B  59
SER B  57
1.78A21.85
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER K  14
PHE K   9
SER J  29
ASP J  32
1.43A18.18
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		1zvb E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU C  20
ASP C  22
ILE C  16
ASP A  28
SER A  25
1.80A24.29
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		1zvb E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP A  28
SER A  25
ILE C  16
LEU C  20
ASP C  22
1.77A24.29
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 10
ASP B 295
PHE B   3
ILE B 281
LEU B 287
ASP B 289
1.76A15.61
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 10
LEU B 235
ILE B 217
CYH B 274
PHE B 298
SER B 321
1.68A19.08
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2ajf ACE2
(Homo
sapiens)		4 / 8
ASP B 367
SER B 280
PHE B 274
LEU B 440
1.41A9.88
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		2ajf ACE2
(Homo
sapiens)		5 / 10
ASP B 543
SER B 545
PHE B 308
ILE B 307
GLU B 310
1.66A9.88
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ASP C  77
SER C  79
LEU B  76
ASP B  77
1.28A14.98
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 351
CYH A 378
PHE C 379
LEU A 503
1.18A18.54
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 8
ASP A 272
SER A 273
LEU A 200
ASP A 199
1.38A12.97
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP B 272
SER B 273
LEU B 200
ASP B 199
1.34A17.08
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
ASP A 295
PHE A   3
ILE A 281
LEU A 287
ASP A 289
1.77A15.67
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ASP A 295
PHE A   3
ILE A 281
LEU A 287
ASP A 289
1.79A15.67
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A 287
ASP A 289
ILE A 281
PHE A   3
ASP A 295
1.80A15.67
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
ASP F  16
PHE E 268
ILE E 280
CYH E 292
LEU E 245
1.66A16.78
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
LEU E 245
ILE E 280
CYH E 292
PHE E 268
ASP F  16
1.62A16.78
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP E 272
SER E 273
LEU E 200
ASP E 199
1.18A16.78
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
LEU E 245
ILE E 280
CYH E 292
PHE E 268
ASP F  16
1.61A16.78
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
ASP F  16
PHE E 268
ILE E 280
CYH E 292
LEU E 245
1.62A16.78
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ASP A 130
PHE A 149
SER A 175
LEU A 206
1.37A17.42
SAH  A1293 (-3.7A)
SAH  A1293 (-4.6A)
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ASP A 130
PHE A 149
SER A 175
LEU A 206
1.33A17.42
SAH  A1300 (-3.7A)
SAH  A1300 (-4.5A)
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ASP A 543
SER A 545
PHE A 308
ILE A 307
GLU A 310
1.52A9.72
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 10
SER B  28
ILE B   7
PHE B  30
ASP B  59
SER B  57
1.76A21.67
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 9
SER B  28
ILE B   7
PHE B  30
ASP B  59
SER B  57
1.77A21.67
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 10
ASP B  59
SER B  57
PHE B  30
SER B  28
ILE B   7
1.77A21.67
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		4 / 8
PHE D  36
SER D  38
PHE F   2
ASP D  74
1.25A16.06
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP C 295
PHE A   3
ILE C 281
LEU C 287
ASP C 289
1.76A15.99
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP B 295
PHE B   3
ILE B 281
LEU B 287
ASP B 289
1.69A15.65
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 287
ASP B 289
ILE B 281
PHE B   3
ASP B 295
1.71A15.65
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
ASP B 295
PHE B   3
ILE B 281
LEU B 287
ASP B 289
1.70A15.65
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.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
SER A 139
CYH A 128
PHE A   8
GLU A 290
ASP A 295
1.80A15.49
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
GLU A 290
ASP A 295
SER A 139
CYH A 128
PHE A   8
1.77A15.49
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ASP A 130
PHE A 149
SER A 175
LEU A 206
1.39A18.04
SAM  A 302 (-3.6A)
SAM  A 302 ( 4.8A)
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3scj ACE2
(Homo
sapiens)		5 / 10
ASP B 543
SER B 545
PHE B 308
ILE B 307
GLU B 310
1.68A13.54
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B 367
SER B 280
PHE B 274
LEU B 440
1.37A13.32
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
ASP A 543
SER A 545
PHE A 308
ILE A 307
GLU A 310
1.68A13.32
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 123
PHE A 140
SER A 147
LEU A  27
1.45A15.65
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.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.70A11.57
None
None
None
None
MG  B 604 (-3.2A)
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.65A11.57
 MG  B 604 (-3.2A)
None
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.68A11.57
None
None
None
None
MG  B 604 (-3.2A)
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 8
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.70A11.57
 MG  B 604 (-3.2A)
None
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.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
PHE B 190
ASP B  90
SER B 194
CYH B  94
PHE B 146
1.67A11.57
None
MG  B 604 (-3.2A)
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.69A11.57
 MG  B 604 (-3.2A)
None
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.67A11.57
None
None
None
None
MG  B 604 (-3.2A)
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.67A11.57
None
None
None
None
MG  B 604 (-2.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 8
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.69A11.57
 MG  B 604 (-2.9A)
None
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.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.68A11.57
None
None
None
None
MG  B 604 (-2.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.63A11.57
 MG  B 604 (-2.9A)
None
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
ASP B  90
PHE B 190
SER B 194
CYH B  94
PHE B 146
1.67A11.57
 MG  B 604 (-2.9A)
None
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 10
SER B 194
CYH B  94
PHE B 146
PHE B 190
ASP B  90
1.66A11.57
None
None
None
None
MG  B 604 (-2.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 9
PHE B 190
ASP B  90
SER B 194
CYH B  94
PHE B 146
1.66A11.57
None
MG  B 604 (-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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
ASP B  90
PHE B 190
SER B 194
CYH B  94
1.41A11.57
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP C 961
SER C 956
LEU B 374
ASP B 376
1.20A6.87
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
SER C 541
PHE C 545
SER C 561
PHE C 551
ILE A  46
1.35A6.19
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
SER A 561
PHE A 551
ILE B  46
PHE A 545
SER A 541
1.38A6.19
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
ASP A 554
SER A 556
PHE B 837
LEU A 571
ASP A 572
1.72A6.19
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 8
ASP A 554
SER A 556
PHE B 837
LEU A 571
ASP A 572
1.73A6.19
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.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU A 571
ASP A 572
PHE B 837
ASP A 554
SER A 556
1.75A6.19
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU A 571
ASP A 572
PHE B 837
ASP A 554
SER A 556
1.72A6.19
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5x5f S PROTEIN
(MERS-CoV)		4 / 8
SER B 459
PHE B 467
LEU B 456
ASP B 455
1.39A5.87
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
SER B 528
PHE C 165
GLU B 549
LEU B 548
PHE C 164
1.79A5.87
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		5yvd NSP15
(MERS-CoV)		4 / 8
PHE B 173
SER B  65
PHE B 136
ASP B 121
1.46A12.43
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
LEU B 519
ILE B 570
PHE B 316
PHE B 527
ASP B 312
1.73A6.87
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.
3M0W_B_P77B204_1
(PROTEIN S100-A4)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLU A  45
PHE B 548
PHE A  47
PHE B 545
1.40A6.87
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP A 557
SER A 556
LEU C 963
ASP C 961
1.23A6.87
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
SER C 541
PHE C 545
SER C 561
PHE C 551
ILE B  46
1.52A6.87
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
SER C 561
PHE C 551
ILE B  46
PHE C 545
SER C 541
1.52A6.87
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6ack ACE2
(Homo
sapiens)		4 / 8
ASP D 367
SER D 280
PHE D 274
LEU D 440
1.33A13.54
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASP B 134
PHE B 103
ILE B 115
PHE B 137
ASP B 154
1.67A6.87
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
SER C 541
PHE C 545
SER C 561
PHE C 551
ILE A  46
1.24A6.59
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
SER B  49
PHE A 545
SER A 561
PHE A 548
ASP B  44
1.61A6.59
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
SER C 561
PHE C 551
ILE A  46
PHE C 545
SER C 541
1.27A6.59
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
SER B 561
PHE B 551
ILE C  46
PHE B 545
SER B 541
1.10A6.74
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.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE A 545
SER B  49
SER A 561
PHE A 548
ASP B  44
1.76A6.74
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
SER B 541
PHE B 545
SER B 561
PHE B 551
ILE C  46
1.07A6.74
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.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU C 538
ASP C 572
PHE A 837
ASP C 554
SER C 556
1.60A6.74
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU C 538
ASP C 572
PHE A 837
ASP C 554
SER C 556
1.58A6.74
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
ASP C 554
SER C 556
PHE A 837
LEU C 538
ASP C 572
1.66A6.74
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
SER C  49
PHE B 545
SER B 561
PHE B 548
1.32A6.74
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6jyt HELICASE
(SARSr-CoV)		5 / 10
LEU A 122
PHE A 106
ILE A 109
CYH A 112
SER B 148
1.67A10.96
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6m17 ACE2
(Homo
sapiens)		5 / 10
SER D 420
PHE D 314
SER D 411
ILE D 407
LEU D 529
1.78A8.22
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		6m17 ACE2
(Homo
sapiens)		5 / 9
LEU D 529
SER D 411
ILE D 407
PHE D 314
SER D 420
1.71A8.22
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6m17 ACE2
(Homo
sapiens)		4 / 8
SER D 420
PHE D 314
SER D 411
LEU D 529
1.35A8.22
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
PHE A 279
SER A 307
PHE A 276
LEU A  75
1.22A10.11
None
3PH  A 708 ( 4.5A)
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.
3M0W_J_P77J203_1
(PROTEIN S100-A4)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU C  77
SER C 278
PHE C 276
PHE C 279
SER C 314
1.72A10.11
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
LEU C  77
SER C 278
PHE C 276
PHE C 279
SER C 314
1.55A10.11
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6m1d ACE2
(Homo
sapiens)		5 / 10
ASP B 509
SER B 113
ILE B 119
PHE B 464
SER B 105
1.76A8.22
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
SER C 314
PHE C 279
SER C 278
PHE C 276
LEU C  77
1.66A10.11
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.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
SER A 314
PHE A 279
LEU A  77
SER A 278
PHE A 276
1.62A10.11
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
SER C 541
PHE C 545
SER C 561
PHE C 551
ILE B  46
1.30A6.28
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
SER C 561
PHE C 551
ILE B  46
PHE C 545
SER C 541
1.28A6.28
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6nur NSP12
(SARSr-CoV)		4 / 8
ASP A 208
SER A 236
PHE A 219
ASP A 221
1.38A6.93
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.
3M0W_F_P77F203_1
(PROTEIN S100-A4)		6nur NSP12
(SARSr-CoV)		5 / 9
ASP A 221
SER A 236
ILE A 233
PHE A 219
ASP A 208
1.52A6.93
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.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		6nur NSP12
(SARSr-CoV)		5 / 10
ASP A 684
SER A 564
PHE A 652
ILE A 307
LEU A 636
1.33A6.93
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.
3M0W_G_P77G203_1
(PROTEIN S100-A4)		6nur NSP12
(SARSr-CoV)		5 / 9
ASP A 208
SER A 236
ILE A 233
PHE A 219
ASP A 221
1.49A6.93
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.
3M0W_H_P77H203_1
(PROTEIN S100-A4)		6nus NSP12
(SARSr-CoV)		5 / 10
LEU A 636
PHE A 652
ILE A 307
ASP A 684
SER A 564
1.42A6.93
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ASP H 144
SER H 177
SER L 131
LEU L 125
1.44A17.90
None
GOL  L 301 (-3.1A)
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ASP H 148
SER H 181
SER L 137
LEU L 131
1.49A
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ASP B 148
SER B 181
SER C 137
LEU C 131
1.46A
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
ASP H 148
SER H 181
SER L 137
LEU L 131
1.50A
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
ASP B 148
SER B 181
SER C 137
LEU C 131
1.50A
None