Ligand ID: MC9


Drugbank ID:
DB02300
(Calcipotriol)


Indication:
For the treatment of moderate plaque psoriasis in adults.

Get human targets for MC9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MC9'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		1uk4 3C-LIKE PROTEINASE
5-MER PEPTIDE OF
INHIBITOR
(SARSr-CoV)		5 / 12
LEU H   4
LEU B 141
CYH B 128
LEU B  86
LEU B 177
1.42A2.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 271
LEU B 282
SER B   1
LEU B 250
LEU B 253
1.47A22.39
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
LEU C  22
LEU C  40
ILE C  44
LEU G 100
LEU G 108
1.47A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		2ajf ACE2
(Homo
sapiens)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.78A16.30
None
None
ZN  A 901 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU C  49
LEU C  55
VAL C  77
ILE C  20
VAL C  95
LEU C  22
1.69A16.67
None
None
None
D10  C1099 ( 4.8A)
D10  C1099 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU B  49
LEU B  55
VAL B  77
ILE B  20
VAL B  95
LEU B  22
1.72A14.34
None
D10  B1099 ( 4.6A)
D10  B1099 (-4.8A)
None
D10  B1099 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme -
(-)		6 / 12
LEU G  49
LEU G  55
VAL G  77
ILE G  20
VAL G  95
LEU G  22
1.73A14.07
None
D10  H1099 ( 4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
LEU A  49
LEU A  55
VAL A  77
ILE A  20
VAL A  95
LEU A  22
1.73A14.02
None
D10  B1099 ( 4.2A)
None
None
D10  B1099 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL S 389
ILE S 405
TRP S 340
VAL S 498
LEU S 412
1.51A20.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 124
LEU B 118
VAL B 117
ILE B 152
LEU B 133
1.25A19.29
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		6 / 12
LEU A  93
LEU A  77
VAL A  78
VAL A  74
LEU A  66
LEU A  66
1.29A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
LEU A  93
LEU A  77
VAL A  78
VAL A  74
LEU A  66
1.52A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 389
ILE C 405
TRP C 340
VAL C 498
LEU C 412
1.48A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 546
LEU A 537
ILE A 556
TYR A 564
VAL A 574
1.19A19.77
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 546
LEU A 537
ILE A 556
TYR A 564
VAL A 574
1.21A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU D 297
LEU D 331
VAL D 318
SER D 312
VAL D 303
1.49A20.16
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU D 167
SER F 287
SER D 171
LEU F 254
LEU F 248
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		2w2g NSP3
(SARSr-CoV)		5 / 12
LEU B 546
LEU B 537
ILE B 556
TYR B 564
VAL B 574
1.28A23.57
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 389
ILE A 405
TRP A 340
VAL A 498
LEU A 412
1.47A18.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.79A16.64
None
None
ZN  A 901 (-3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 450
VAL A 447
VAL A 485
LEU A 262
LEU A 267
1.47A16.64
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.28A18.85
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU C  45
LEU C  42
VAL C 102
SER C  35
LEU C 112
1.40A16.67
GOL  C 123 ( 4.8A)
None
None
None
GOL  C 125 (-4.0A)
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TYR B  54
ARG B  40
HIS B 172
HIS B 163
1.79A22.91
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3i6g HLA, A-2
(Homo
sapiens)		4 / 5
TYR A 113
SER A   4
ARG A   6
HIS A 263
1.29A22.97
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 12
LEU F  40
VAL F  37
ILE F  35
SER F  28
VAL F  93
1.52A19.23
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3i6l HLA, A-24
(Homo
sapiens)		4 / 5
TYR D 113
SER D   4
ARG D   6
HIS D 263
1.15A22.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 389
ILE E 405
TRP E 340
VAL E 498
LEU E 412
1.50A21.35
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 389
ILE F 405
TRP F 340
VAL F 498
LEU F 412
1.50A20.15
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 389
ILE F 405
TRP F 340
VAL F 498
LEU F 412
1.53A19.92
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.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
TYR A  41
SER A  44
HIS A 378
HIS A 401
1.78A16.64
None
None
ZN  A 901 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.28A20.18
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.32A19.29
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
LEU A 245
VAL A 116
ILE A 152
SER A 145
LEU A 133
1.52A20.96
None
None
None
PO4  A 402 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 124
LEU A 118
VAL A 117
ILE A 152
LEU A 133
1.35A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU B 329
VAL B 381
CYH B 340
VAL B 398
LEU B 442
1.53A19.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  67
VAL A  77
SER A  81
VAL A  42
LEU A  58
1.74A22.69
None
None
K1Y  A 404 (-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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.66A22.69
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 124
LEU D 118
VAL D 117
ILE D 152
LEU D 133
1.16A19.11
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
LEU C 980
ILE C 955
SER C 859
LEU C1005
LEU C 871
1.41A11.28
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6acj ACE2
(Homo
sapiens)		5 / 12
LEU D 450
VAL D 447
VAL D 485
LEU D 262
LEU D 267
1.43A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		6ack ACE2
(Homo
sapiens)		4 / 5
TYR D  41
SER D  44
HIS D 378
HIS D 401
1.56A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 913
SER B 703
VAL B1043
LEU B 804
LEU B 920
1.52A13.33
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 286
LEU B 597
VAL B 596
ILE B 637
LEU B 615
1.52A13.32
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 424
LEU C 229
VAL C 233
ILE C 236
LEU C 415
1.45A16.98
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.73A21.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
1.57A13.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
LEU B 103
LEU B 117
VAL A 330
LEU B  95
LEU B  91
1.75A23.02
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 245
VAL A 315
TYR A 294
LEU A 469
LEU A 308
1.55A13.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
ILE A 696
SER A 692
CYH A 622
LEU A 638
1.67A13.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
VAL A 182
LEU A 186
1.49A13.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
1.51A14.54
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 821
VAL A1061
ILE A 726
SER A 730
VAL A 826
1.49A11.57
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 390
LEU E 513
VAL E 395
ILE E 358
LEU E 335
1.46A21.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vw1 ACE2
(Homo
sapiens)		5 / 12
LEU A 450
VAL A 447
VAL A 485
LEU A 262
LEU A 267
1.48A16.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.70A
None
None
SO4  A 203 (-4.0A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6855
VAL A6965
ILE A6925
LEU A6887
LEU A6883
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
LEU B4345
LEU B4328
VAL B4361
ILE B4291
VAL A6902
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w6y NSP3
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.70A
None
AMP  A 201 ( 4.4A)
AMP  A 201 ( 4.4A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w6y NSP3
(SARS-CoV-2)		5 / 12
LEU A 122
SER B   7
TYR A  17
LEU A 126
LEU A 140
1.57A
None
None
None
AMP  A 201 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w6y NSP3
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.73A
None
AMP  A 201 ( 4.4A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU A6855
VAL A6965
ILE A6925
LEU A6887
LEU A6883
1.70A18.59
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
LEU D4345
LEU D4328
VAL D4361
ILE D4291
VAL C6902
1.74A18.04
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w75 NSP16
(SARS-CoV-2)		5 / 12
LEU C6855
VAL C6965
ILE C6925
LEU C6887
LEU C6883
1.69A18.59
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 12
LEU B4345
LEU B4328
VAL B4361
ILE B4291
VAL A6902
1.77A18.04
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU B  36
VAL B  41
ILE B  44
SER B  49
VAL B  21
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU C  36
VAL C  41
ILE C  44
SER C  49
VAL C  21
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A  36
VAL A  41
ILE A  44
SER A  49
VAL A  21
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wcf NSP3
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
LEU A  17
LEU A  35
ILE A  39
LEU B  95
LEU B 103
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
LEU D4345
LEU D4328
VAL D4361
ILE D4291
VAL C6902
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE C6925
SER C6927
TYR C6950
LEU C6981
LEU C6978
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU C6855
VAL C6965
ILE C6925
LEU C6887
LEU C6883
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE C6925
SER C6927
CYH C6913
TYR C6950
LEU C6978
1.63A
None
None
SAH  C7102 (-3.7A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6855
VAL A6965
ILE A6925
LEU A6887
LEU A6883
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 12
LEU D4345
LEU D4328
VAL D4361
ILE D4291
VAL C6902
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU A6855
VAL A6965
ILE A6925
LEU A6887
LEU A6883
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wkq NSP16
(SARS-CoV-2)		5 / 12
LEU C6855
VAL C6965
ILE C6925
LEU C6887
LEU C6883
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
LEU A 228
LEU A 251
ILE A 306
LEU A 312
LEU A 332
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
TYR B 113
VAL B 151
LEU B  12
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU C 123
LEU C 126
VAL C 155
VAL C 151
LEU C  12
1.67A
None
APR  C 201 (-4.9A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU C 122
VAL C 147
TYR C  17
LEU C 126
LEU C 140
1.65A
None
None
None
APR  C 201 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
VAL B 155
VAL B 151
LEU B  12
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU D 123
LEU D 126
TYR D 113
VAL D 151
LEU D  12
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU C 123
LEU C 126
TYR C 113
VAL C 151
LEU C  12
1.69A
None
APR  C 201 (-4.9A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU D 123
LEU D 126
VAL D 155
VAL D 151
LEU D  12
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
LEU A6855
VAL A6965
ILE A6925
LEU A6887
LEU A6883
1.71A
8NK  A7103 (-3.6A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 12
LEU B4345
LEU B4328
VAL B4361
ILE B4291
VAL A6902
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
LEU C  17
LEU C  35
ILE C  39
LEU D  95
LEU D 103
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
LEU A  17
LEU A  35
ILE A  39
LEU B  95
LEU B 103
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A  36
VAL A  41
ILE A  44
SER A  49
VAL A  21
1.68A
None
None
None
PO4  A 503 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
LEU A 253
SER A 262
TYR A 296
LEU A 101
LEU A 118
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.67A22.31
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 250
LEU A 208
VAL A 204
SER A 284
VAL A 296
1.74A22.31
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
LEU C  17
LEU C  35
ILE C  39
LEU D  95
LEU D 103
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
LEU A  17
LEU A  35
ILE A  39
LEU B  95
LEU B 103
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 390
LEU A 513
VAL A 395
ILE A 358
LEU A 335
1.60A
DMS  A 905 (-4.9A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 390
LEU E 513
VAL E 395
ILE E 358
LEU E 335
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 390
LEU E 513
VAL E 395
ILE E 358
LEU E 335
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU E 390
LEU E 513
VAL E 395
ILE E 358
LEU E 335
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 390
LEU A 513
VAL A 395
ILE A 358
LEU A 335
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B  12
VAL B  16
SER B 167
VAL B 155
LEU B 126
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
VAL B 155
VAL B 151
LEU B  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C  12
VAL C  16
SER C 167
VAL C 155
LEU C 126
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D 123
LEU D 126
VAL D 155
VAL D 151
LEU D  12
1.73A
None
None
EDO  D 208 ( 4.2A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU E 122
SER D   7
TYR E  17
LEU E 126
LEU E 140
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D  10
SER D 167
SER D 166
TYR D 161
VAL D 155
1.58A
None
None
None
None
EDO  D 208 ( 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU E 160
ILE E  18
SER E 139
VAL E  49
LEU E 123
1.67A
None
None
None
APR  E 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
VAL B 155
VAL B 151
LEU B  12
1.69A
None
APR  B 201 (-4.7A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 160
ILE C  18
SER C 139
VAL C  49
LEU C 123
1.64A
None
None
None
APR  C 201 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.70A
None
APR  A 201 (-4.8A)
APR  A 201 ( 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B  12
VAL B  16
SER B 167
VAL B 155
LEU B 126
1.66A
None
None
None
None
APR  B 201 (-4.7A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D 123
LEU D 126
TYR D 113
VAL D 151
LEU D  12
1.72A
None
APR  D 201 (-4.5A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D 123
LEU D 126
VAL D 155
VAL D 151
LEU D  12
1.67A
None
APR  D 201 (-4.5A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D 160
ILE D  18
SER D 139
VAL D  49
LEU D 123
1.68A
None
None
None
APR  D 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C  12
VAL C  16
SER C 167
VAL C 155
LEU C 126
1.71A
None
None
None
APR  C 201 ( 4.9A)
APR  C 201 (-4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.73A
None
APR  A 201 (-4.8A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 122
VAL B 147
TYR B  17
LEU B 126
LEU B 140
1.72A
None
None
None
APR  B 201 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 160
ILE A  18
SER A 139
VAL A  49
LEU A 123
1.66A
None
None
None
APR  A 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
TYR B 113
VAL B 151
LEU B  12
1.74A
None
APR  B 201 (-4.7A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU D  12
VAL D  16
SER D 167
VAL D 155
LEU D 126
1.70A
None
None
None
None
APR  D 201 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 123
LEU C 126
VAL C 155
SER C 167
LEU C  10
1.73A
None
None
EDO  C 206 ( 4.2A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
VAL B 155
SER B 167
LEU B  10
1.73A
None
None
EDO  B 202 (-4.0A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
TYR A 113
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A 123
LEU A 126
VAL A 155
VAL A 151
LEU A  12
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 123
LEU C 126
VAL C 155
VAL C 151
LEU C  12
1.70A
None
None
EDO  C 206 ( 4.2A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C  12
VAL C  16
SER C 167
VAL C 155
LEU C 126
1.72A
None
None
None
EDO  C 206 ( 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
VAL B 155
VAL B 151
LEU B  12
1.71A
None
None
EDO  B 202 (-4.0A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU A  10
SER A 167
SER A 166
TYR A 161
VAL A 155
1.59A
None
EDO  A 206 ( 4.1A)
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 123
LEU C 126
TYR C 113
VAL C 151
LEU C  12
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B 123
LEU B 126
TYR B 113
VAL B 151
LEU B  12
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU B  12
VAL B  16
SER B 167
VAL B 155
LEU B 126
1.69A
None
None
None
EDO  B 202 (-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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C  10
SER C 167
SER C 166
TYR C 161
VAL C 155
1.61A
None
None
None
None
EDO  C 206 ( 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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
LEU A 253
ILE A 259
CYH A 300
VAL A 204
LEU A 271
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ILE A 333
SER A 363
VAL A 373
LEU B  91
LEU A 366
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7btf NSP7
NSP8
(SARS-CoV-2)		5 / 12
LEU C  17
LEU C  35
ILE C  39
LEU D  95
LEU D 103
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
ILE A 696
SER A 692
CYH A 622
LEU A 638
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
VAL A 182
LEU A 186
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 460
LEU A 316
VAL A 315
LEU A 630
LEU A 469
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
VAL A 182
LEU A 186
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
ILE A 696
SER A 692
CYH A 622
LEU A 638
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
TYR A  38
SER A 236
ARG A 733
HIS A 309
1.70A13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 127
VAL A 128
ILE A 244
CYH A 151
LEU A 186
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.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 186
VAL A 182
TYR A 237
VAL A 128
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_1
(VITAMIN D3 RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
TYR A  38
SER A 236
ARG A 733
HIS A 309
1.63A13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 469
ILE A 696
SER A 692
CYH A 622
LEU A 638
1.74A
None
None
None
F86  P 102 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
VAL A 182
LEU A 186
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
LEU A 212
LEU A 131
VAL A 128
TYR A 175
LEU A 186
1.58A
None