Ligand ID: PNX


Drugbank ID:
DB00806
(Pentoxifylline)


Indication:
For the treatment of patients with intermittent lameness or immobility arising from chronic occlusive arterial disease of the limbs.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PNX' 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.
2A3C_A_PNXA1435_1
(CHITINASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 6
TYR A 118
GLY B   2
PHE B   3
SER B   1
1.77A20.87
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.
3ARR_A_PNXA606_1
(CHITINASE A)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
LYS A  49
ASP A  56
TYR A  54
ARG A  60
1.63A19.00
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.
3ARU_A_PNXA606_1
(CHITINASE A)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
LYS A  49
ASP A  56
TYR A  54
ARG A  60
1.64A19.00
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN B1175
ILE B 913
PHE B 909
GLN A 915
1.30A15.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA608_1
(CHITINASE A)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ASN B1154
SER B1156
ALA B1155
ASP F 932
1.72A12.57
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.
2A3C_A_PNXA1435_1
(CHITINASE)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 6
TYR A  27
GLY B  29
PHE B  62
SER B  61
1.39A19.49
GOL  A5003 (-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.
3ARU_A_PNXA608_1
(CHITINASE A)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN B1028
SER B1144
ALA B1145
HIS B1163
1.65A22.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN L  27
ILE G  13
PHE G   9
GLN K  15
1.29A9.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 6
TYR B 118
GLY A   2
PHE A   3
SER A   1
1.54A21.93
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		2ajf ACE2
(Homo
sapiens)		4 / 7
ILE A 379
PHE A 327
GLN A 380
PHE A 315
1.16A20.23
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.
2A3C_A_PNXA1435_1
(CHITINASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
TYR H 334
PHE G 316
SER G 313
ARG H 278
1.72A13.19
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY S 391
ASP S 429
TYR S 494
ARG S 495
1.70A16.49
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.
3ARR_A_PNXA606_1
(CHITINASE A)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY S 391
ASP S 429
TYR S 494
ARG S 495
1.73A16.49
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.
3ARR_A_PNXA607_1
(CHITINASE A)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER L 189
HIS L 190
THR L 183
LEU L 182
1.35A16.72
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.
2A3C_A_PNXA1435_1
(CHITINASE)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLY B   2
PHE A 140
SER B   1
ARG B   4
1.70A21.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 8
VAL B  97
GLY C 104
GLY B  47
GLU B 105
1.06A13.50
None
None
APR  B 477 (-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.
3ARR_A_PNXA606_1
(CHITINASE A)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 391
ASP A 429
TYR A 494
ARG A 495
1.64A16.49
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.
2A3C_A_PNXA1435_1
(CHITINASE)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 6
TYR B 102
GLY B  55
SER B  56
ARG B  72
1.47A19.39
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.
2A3C_B_PNXB2433_1
(CHITINASE)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
PHE D 203
GLY D 198
THR D 204
TYR D 103
TYR D 168
1.71A19.39
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 391
ASP A 429
TYR A 494
ARG A 495
1.61A16.49
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.
2A3C_A_PNXA1435_1
(CHITINASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 6
TYR A 334
GLY A 276
PHE A 275
ARG A 278
1.45A15.67
None
SO4  A 371 (-3.6A)
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
PHE A 140
GLY A 149
TYR A 161
ARG A 131
1.73A19.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 7
GLY A 164
ASP A  87
TYR A  88
ARG A  90
1.61A21.16
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 7
GLY A 164
ASP A  87
TYR A  88
ARG A  90
1.54A21.16
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2kqv NSP3
(SARSr-CoV)		4 / 7
GLY A  44
ASP A  53
TYR A  54
ARG A  57
1.76A15.43
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.
3ARR_A_PNXA606_1
(CHITINASE A)		2kqv NSP3
(SARSr-CoV)		4 / 7
GLY A  44
ASP A  53
TYR A  54
ARG A  57
1.78A15.43
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.
2A3C_A_PNXA1435_1
(CHITINASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 6
TYR A 118
GLY B   2
PHE B   3
SER B   1
1.58A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLY B 164
ASP B  87
TYR B  88
ARG B  90
1.50A21.18
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.
3ARR_A_PNXA606_1
(CHITINASE A)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLY B 164
ASP B  87
TYR B  88
ARG B  90
1.56A21.18
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.
3ARR_A_PNXA606_1
(CHITINASE A)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLY E 164
ASP E  87
TYR E  88
ARG E  90
1.45A20.57
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.
3ARU_A_PNXA606_1
(CHITINASE A)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
GLY E 164
ASP E  87
TYR E  88
ARG E  90
1.38A20.57
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		2wct NSP3
(SARSr-CoV)		4 / 7
TYR C 576
ILE C 567
PHE C 580
GLN C 561
1.42A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
TYR B  96
GLY A  77
PHE A 103
SER A  74
1.71A14.35
None
None
None
SFG  A1298 ( 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.
3ARU_A_PNXA606_1
(CHITINASE A)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
GLY A 391
ASP A 429
TYR A 494
ARG A 495
1.70A16.14
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.
3ARR_A_PNXA606_1
(CHITINASE A)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
GLY A 391
ASP A 429
TYR A 494
ARG A 495
1.73A16.14
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.
3ARU_A_PNXA606_1
(CHITINASE A)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE E 325
GLY E 326
LYS E 324
ASP E 351
1.75A15.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLY B 205
ASP B 198
TYR B 196
ARG B 192
1.71A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 391
ASP E 429
TYR E 494
ARG E 495
1.75A15.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
VAL A 488
GLY A 260
PHE A 603
GLY A 605
0.99A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 391
ASP E 429
TRP E 423
ARG E 495
1.74A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE F 325
GLY F 326
LYS F 324
ASP F 351
1.68A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ILE A 379
PHE A 327
GLN A 380
PHE A 315
1.17A20.30
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.
3ARR_A_PNXA606_1
(CHITINASE A)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
GLY B 399
TRP B 203
TYR B 207
ARG B 460
1.64A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP B 275
VAL B 447
LEU B 595
TRP B 606
1.59A22.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 391
ASP E 429
TYR E 494
ARG E 495
1.69A14.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE E 325
GLY E 326
LYS E 324
ASP E 351
1.69A14.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		3i6g HLA, A-2
(Homo
sapiens)		4 / 8
GLY A 162
THR A 163
GLY D 162
ALA D 158
0.99A20.61
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.
3ARU_A_PNXA608_1
(CHITINASE A)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 6
TRP A 147
SER C   5
HIS A  74
ASP A  77
1.70A20.61
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.
2A3C_A_PNXA1435_1
(CHITINASE)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 6
TYR F  66
GLY F  29
PHE F  62
SER F  57
1.73A13.16
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.
2A3C_A_PNXA1435_1
(CHITINASE)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 6
TYR E  27
GLY F  29
PHE F  62
SER F  61
1.38A19.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 6
TYR D  27
GLY E  29
PHE E  62
SER E  61
1.45A21.28
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.
2A3C_A_PNXA1435_1
(CHITINASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
TYR A 118
GLY B   2
PHE B   3
SER B   1
1.55A21.77
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.
2A3C_A_PNXA1434_1
(CHITINASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A 113
TRP A 107
GLY A 161
GLU A 162
TYR A 265
1.63A21.23
None
None
None
None
GRM  A 801 ( 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.
2A3C_A_PNXA1435_1
(CHITINASE)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 6
TYR B  96
GLY A  77
PHE A 103
SER A  74
1.73A14.98
None
None
None
SAM  A 302 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY F 391
ASP F 429
TYR F 494
ARG F 495
1.74A16.87
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		3sci ACE2
(Homo
sapiens)		4 / 7
ILE A 379
PHE A 327
GLN A 380
PHE A 315
1.17A20.23
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.
3ARU_A_PNXA606_1
(CHITINASE A)		3scj ACE2
(Homo
sapiens)		4 / 7
GLY B 205
ASP B 198
TYR B 196
ARG B 192
1.53A24.11
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.
3ARR_A_PNXA606_1
(CHITINASE A)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY E 391
ASP E 429
TRP E 423
ARG E 495
1.77A15.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		3scj ACE2
(Homo
sapiens)		4 / 7
GLY B 205
ASP B 198
TYR B 196
ARG B 192
1.56A24.11
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.
3ARU_A_PNXA607_1
(CHITINASE A)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
VAL A 488
GLY A 260
PHE A 603
GLY A 605
1.00A23.23
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.
3ARU_A_PNXA606_1
(CHITINASE A)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE E 325
GLY E 326
LYS E 324
ASP E 351
1.67A15.61
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.
3ARR_A_PNXA607_1
(CHITINASE A)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
VAL B 226
THR B 517
LEU B 520
TRP B 566
1.64A23.23
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
ILE B 379
PHE B 327
GLN B 380
PHE B 315
1.23A20.30
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.
3ARR_A_PNXA607_1
(CHITINASE A)		3sna 3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-NSFSQ-H
(SARSr-CoV)		4 / 7
SER H   4
HIS A  41
THR A  25
LEU A  27
1.67A2.28
ECC  H   5 ( 4.7A)
ECC  H   5 ( 4.3A)
None
ECC  H   5 ( 4.9A)
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.
3ARR_A_PNXA606_1
(CHITINASE A)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		4 / 7
GLY B  76
ASP A 165
TYR A 113
ARG A 167
1.75A9.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 7
SER A 247
HIS A 171
THR A 119
LEU A 170
1.70A19.35
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.
3ARU_A_PNXA608_1
(CHITINASE A)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ASN B  28
SER B 144
ALA B 145
HIS B 163
1.61A19.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
TYR D 494
GLY D 505
PHE D 506
SER D 507
1.78A22.38
None
None
G3A  D 606 (-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.
3ARU_A_PNXA607_1
(CHITINASE A)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 8
GLY B  88
THR B 277
PHE B 111
GLY B 110
ALA B 274
1.63A21.96
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.
3ARU_A_PNXA606_1
(CHITINASE A)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
PHE B  89
GLY B 110
TRP B 159
ARG B 163
1.75A21.96
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.
3ARR_A_PNXA607_1
(CHITINASE A)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
TRP D 247
THR D 277
LEU D 280
TRP D  86
1.31A21.96
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.
3ARU_A_PNXA607_1
(CHITINASE A)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
GLU B 191
PHE B  89
GLY B 110
ALA B 270
1.07A21.96
 MG  B 604 (-2.2A)
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.
3ARU_A_PNXA606_1
(CHITINASE A)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
PHE B  89
GLY B 110
TRP B 159
ARG B 163
1.75A21.96
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.
3ARU_A_PNXA607_1
(CHITINASE A)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 8
VAL A   7
GLY B   6
THR B   5
GLY A   2
ALA A   4
1.54A12.61
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.
3ARR_A_PNXA607_1
(CHITINASE A)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
TRP B 247
THR B 277
LEU B 280
TRP B  86
1.24A21.96
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.
3ARR_A_PNXA607_1
(CHITINASE A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
TRP B 247
THR B 277
LEU B 280
TRP B  86
1.17A21.51
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.
3ARU_A_PNXA607_1
(CHITINASE A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 8
VAL O   7
GLY D   6
THR D   5
GLY O   2
ALA O   4
1.59A13.56
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.
3ARU_A_PNXA607_1
(CHITINASE A)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
GLU A 191
PHE A  89
GLY A 110
ALA A 270
1.07A21.51
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.
2A3C_A_PNXA1435_1
(CHITINASE)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		4 / 6
TYR C  94
PHE C 124
SER C 123
ARG C  85
1.67A11.55
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.
3ARR_A_PNXA606_1
(CHITINASE A)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY C 391
ASP C 429
TYR C 494
ARG C 495
1.54A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
VAL B 369
SER C 956
THR B 372
LEU C 966
1.65A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 6
GLY A  90
PHE A 101
SER A 299
ARG A 307
1.44A21.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA608_1
(CHITINASE A)		5x4r S PROTEIN
(MERS-CoV)		4 / 6
ASN A 226
SER A 227
ALA A 223
ASP A 174
1.47A20.97
NAG  A 503 ( 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.
3ARR_A_PNXA606_1
(CHITINASE A)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LYS A 188
ASP A  44
TYR A  41
ARG A  48
1.36A19.97
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.
3ARU_A_PNXA606_1
(CHITINASE A)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
LYS A 188
ASP A  44
TYR A  41
ARG A  48
1.39A19.97
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
ASN B 783
PHE B 880
MET B 884
PHE B 909
1.12A14.56
NAG  B1304 (-1.9A)
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.
2A3C_A_PNXA1435_1
(CHITINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
GLY A 552
PHE A 551
SER A 561
ARG A 553
1.54A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
LEU C 194
ASN C 189
THR C 229
MET C 107
PHE C 103
1.80A14.56
None
None
NAG  C1310 ( 3.9A)
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.
3ARU_A_PNXA606_1
(CHITINASE A)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
LYS B 188
ASP B  44
TYR B  41
ARG B  48
1.49A18.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1
(CHITINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
TRP A 619
PHE A 305
GLY A 580
THR A 302
ASP A 600
1.77A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
LYS B 188
ASP B  44
TYR B  41
ARG B  48
1.43A19.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 6
GLY B  90
PHE B 101
SER B 299
ARG B 307
1.42A15.85
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.
3ARU_A_PNXA607_1
(CHITINASE A)		5x5f S PROTEIN
(MERS-CoV)		5 / 8
VAL C 846
GLY C1133
THR C 797
ALA C1099
GLU C 944
1.70A18.49
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.
3ARU_A_PNXA608_1
(CHITINASE A)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
ASN C 226
SER C 227
ALA C 223
ASP C 174
1.48A18.49
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN A 783
PHE A 880
MET A 884
PHE A 909
1.24A13.52
ASN  A 783 ( 0.6A)
PHE  A 880 ( 1.3A)
MET  A 884 ( 0.0A)
PHE  A 909 ( 1.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE B 483
GLY B 391
TYR B 494
ARG B 495
1.39A19.41
PHE  B 483 ( 1.3A)
GLY  B 391 ( 0.0A)
TYR  B 494 ( 1.3A)
ARG  B 495 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
TYR C 256
GLY C 104
PHE C 231
SER C 105
1.50A16.64
TYR  C 256 ( 1.3A)
GLY  C 104 ( 0.0A)
PHE  C 231 ( 1.3A)
SER  C 105 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
TRP B 619
VAL B 581
THR B 302
LEU B 286
1.17A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 391
ASP A 429
TYR A 494
ARG A 495
1.54A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
VAL B1015
GLY B 862
THR B 863
GLY B 867
0.75A19.50
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN B 783
PHE B 880
MET B 884
PHE B 909
1.08A13.52
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.
3ARU_A_PNXA606_1
(CHITINASE A)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE C 483
GLY C 488
ASP C 392
ARG C 395
1.41A19.50
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.
2A3C_A_PNXA1435_1
(CHITINASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
GLY A 552
PHE A 551
SER A 561
ARG A 553
1.56A16.64
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
VAL A 642
GLU A 593
GLY A 638
ALA A 639
1.03A19.74
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASN B 783
PHE B 880
MET B 884
PHE B 909
0.96A13.51
NAG  B1305 (-1.8A)
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.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
LEU B 194
ASN B 189
THR B 229
MET B 107
PHE B 103
1.72A13.16
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.
3ARR_A_PNXA607_1
(CHITINASE A)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
TRP B 619
VAL B 581
THR B 302
LEU B 286
1.13A19.56
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.
3ARU_A_PNXA606_1
(CHITINASE A)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE C 483
GLY C 391
TYR C 494
ARG C 495
1.38A19.39
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.
2A3C_A_PNXA1435_1
(CHITINASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
TYR B  42
PHE A 551
SER A 561
ARG A 563
1.28A16.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASN B 783
PHE B 880
MET B 884
PHE B 909
0.82A13.16
NAG  B1315 (-1.8A)
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.
3ARR_A_PNXA606_1
(CHITINASE A)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY B 391
ASP B 429
TYR B 494
ARG B 495
1.50A19.56
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
VAL A 642
GLU A 593
GLY A 638
ALA A 639
0.81A19.39
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.
3ARU_A_PNXA606_1
(CHITINASE A)		6cs2 ACE2
(Homo
sapiens)		4 / 7
GLY D 205
ASP D 198
TYR D 196
ARG D 192
1.64A23.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1435_1
(CHITINASE)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 6
TYR A  27
GLY B  29
PHE B  62
SER B  61
1.41A20.14
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6lzg ACE2
(Homo
sapiens)		4 / 8
VAL A 488
GLY A 260
PHE A 603
GLY A 605
1.05A23.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		6lzg ACE2
(Homo
sapiens)		4 / 7
TRP A 275
VAL A 447
LEU A 595
TRP A 606
1.65A23.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		6lzg ACE2
(Homo
sapiens)		4 / 7
GLY A 205
ASP A 198
TYR A 196
ARG A 192
1.60A23.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		6lzg ACE2
(Homo
sapiens)		4 / 7
GLY A 205
ASP A 198
TYR A 196
ARG A 192
1.59A23.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		6m0j ACE2
(Homo
sapiens)		4 / 8
VAL A 488
GLY A 260
PHE A 603
GLY A 605
1.05A24.11
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.
3ARR_A_PNXA607_1
(CHITINASE A)		6m0j ACE2
(Homo
sapiens)		4 / 7
TRP A 275
VAL A 447
LEU A 595
TRP A 606
1.57A24.11
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
VAL A 440
GLY A 460
THR A 459
GLY A 465
1.00A20.23
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.
2A3C_A_PNXA1435_1
(CHITINASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
GLY A 241
PHE A 327
SER A 323
ARG A 240
1.22A21.52
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6m18 ACE2
(Homo
sapiens)		4 / 8
VAL B 488
GLY B 260
PHE B 603
GLY B 605
1.01A21.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
ASN A 298
ILE A 518
PHE A 514
GLN A  94
1.21A21.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_A_PNXA902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
LEU A 378
ASN A 346
THR A 339
ILE A 341
PHE A 380
1.72A21.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_A_PNXA1434_1
(CHITINASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR C 292
GLY C 215
GLU C 437
TYR C  41
TRP C  35
1.59A21.52
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.
3ARR_A_PNXA607_1
(CHITINASE A)		6m1d ACE2
(Homo
sapiens)		4 / 7
VAL D 316
SER D 317
HIS D 417
TRP D 328
1.65A21.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA608_1
(CHITINASE A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
TRP C 563
SER C 169
ALA C 167
ASP C 164
1.67A20.23
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.
3ARU_A_PNXA606_1
(CHITINASE A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
GLY A 161
ASP A 164
TYR A 162
ARG A 168
1.59A20.23
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.
3ARR_A_PNXA606_1
(CHITINASE A)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
GLY A 161
ASP A 164
TYR A 162
ARG A 168
1.63A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA606_1
(CHITINASE A)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE C 837
GLY A 534
ASP C 727
ARG A 306
1.61A19.22
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN C 783
PHE C 880
MET C 884
PHE C 909
1.08A14.10
NAG  C1336 (-1.8A)
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.
2A3C_A_PNXA1435_1
(CHITINASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 6
TYR H 106
GLY L  96
PHE H 111
SER L  97
1.75A21.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA608_1
(CHITINASE A)		6nus NSP12
(SARSr-CoV)		4 / 6
SER A 255
ALA A 253
HIS A 256
ASP A 260
1.60A21.15
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.
3ARR_A_PNXA606_1
(CHITINASE A)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 404
ASP E 442
TYR E 508
ARG E 509
1.75A16.64
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.
3ARU_A_PNXA606_1
(CHITINASE A)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLY E 404
ASP E 442
TYR E 508
ARG E 509
1.71A16.64
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
VAL H  11
THR H   9
GLY H 106
GLU H 148
1.45A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
VAL L  27
GLY L  66
GLY L  64
ALA L  51
1.53A14.06
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
VAL L 104
GLY L 101
THR L 102
GLY H  44
1.55A14.06
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  95
GLY H  35
ALA H  93
GLU L  55
1.57A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLY H  94
GLY H  35
ALA H  93
GLU L  55
1.65A14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARU_A_PNXA607_1
(CHITINASE A)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL B 108
GLU L  61
GLY L  63
GLU C  61
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.
3ARU_A_PNXA607_1
(CHITINASE A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL H 115
GLY H   8
THR H 113
GLY B   8
1.31A
None
MLI  B 304 ( 4.0A)
None
MLI  H 305 (-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.
3ARU_A_PNXA607_1
(CHITINASE A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY B   8
THR B   9
GLY B 112
GLU H  10
1.33A
MLI  H 305 (-3.2A)
MLI  B 304 (-4.0A)
MLI  B 304 ( 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.
3ARU_A_PNXA607_1
(CHITINASE A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
VAL B 115
GLY B   8
THR B 113
GLY H   8
1.26A
None
MLI  H 305 (-3.2A)
None
MLI  B 304 ( 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.
3ARU_A_PNXA607_1
(CHITINASE A)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLY H   8
THR H   9
GLY H 112
GLU B  10
1.30A
MLI  B 304 ( 4.0A)
None
None
None