Ligand ID: PNT


Drugbank ID:
DB00738
(Pentamidine)


Indication:
For the treatment of pneumonia due to Pneumocystis carinii.

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

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

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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
LEU A  32
SER A 147
GLY A  29
CYH A 117
GLY A 146
1.68A22.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
TYR A  84
THR A 143
ASP A  74
SER A  13
TYR A 123
1.55A15.80
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		5 / 12
GLU A 154
TRP A 133
GLN A 156
THR C   6
GLU C   7
1.49A18.25
GOL  A5006 (-4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 11
GLN B   8
ASP B  59
SER B  61
SER B  55
GLY B  29
1.65A14.60
GOL  B5004 (-3.8A)
None
None
GOL  A5003 ( 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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
THR E 363
ASP E 393
SER E 336
VAL E 337
TYR E 438
1.67A13.06
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		2ajf ACE2
(Homo
sapiens)		5 / 12
GLU B 402
THR B 453
GLU B 457
TYR B 515
VAL B 226
1.76A18.74
 ZN  B 901 (-2.6A)
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2ajf ACE2
(Homo
sapiens)		5 / 12
ASP A 269
ASP A 499
SER A 507
VAL A 506
TYR A 127
1.54A21.83
None
CL  A 902 (-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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
LEU A  32
SER A 147
GLY A  29
CYH A 117
GLY A 146
1.77A21.90
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2dd8 IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR S 494
THR S 363
ASP L  95
TRP L  91
TYR S 491
1.63A14.43
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
ASP H  95
SER H  35
GLN L  89
GLY H  99
GLY S 488
1.66A21.97
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR L  96
THR H  33
ASP H  95
SER S 362
TYR S 491
1.65A15.00
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU C 174
GLN C 175
GLN C 238
SER C 241
GLY C 202
1.65A20.69
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 11
HIS M  48
LEU J  45
GLN M  65
SER M  67
GLY M  50
1.54A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		3 / 3
CYH N  79
HIS N  80
PHE T  19
1.54A17.11
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
GLN A  55
SER A  89
GLN A  85
GLY A  83
GLY A  87
1.32A20.90
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 11
LEU A 112
SER A  67
SER A  63
GLY A   1
GLY A  71
1.06A20.90
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR E 363
ASP E 393
SER E 336
VAL E 337
TYR E 438
1.66A15.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE C 501
CYH C 419
PHE C 416
1.77A14.56
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
THR B 185
ASP B 182
TYR A 440
ASP A 393
GLY A 490
1.33A15.97
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
TYR A 193
ASP A 301
GLY A 156
SER A 154
TYR A 324
1.68A17.64
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		3 / 3
PHE A 140
CYH A 128
PHE A 112
1.68A14.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR F 193
ASP F 301
GLY F 156
SER F 154
TYR F 324
1.67A16.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 12
GLN B  99
TYR A 494
THR A 487
TYR C  94
ASN A 427
1.75A21.28
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
THR A 363
ASP A 393
SER A 336
VAL A 337
TYR A 438
1.65A13.45
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 269
TRP B 271
SER B 507
VAL B 506
TYR B 127
1.44A21.83
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLN A 522
GLU A 398
TYR A 515
TYR A 381
ASN A 394
1.42A18.55
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR F 363
ASP F 393
SER F 336
VAL F 337
TYR F 438
1.64A12.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR F 363
ASP F 393
SER F 336
VAL F 337
TYR F 438
1.58A13.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR F 363
ASP F 393
SER F 336
VAL F 337
TYR F 438
1.62A14.29
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3i6k HLA, A-2
(Homo
sapiens)		5 / 12
ASP A 137
TYR A  85
ASP A 119
GLY A 120
TYR A 123
1.60A17.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 11
GLN B   8
ASP B  59
SER B  61
SER B  55
GLY B  29
1.57A14.16
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3i6l HLA, A-24
(Homo
sapiens)		5 / 12
ASP D 137
TYR D  85
ASP D 119
GLY D 120
TYR D 123
1.69A16.43
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
LEU A 200
GLN A 233
ASP B 109
SER B  86
GLY B 161
1.61A20.62
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		3sci ACE2
(Homo
sapiens)		5 / 12
GLU B 402
THR B 453
GLU B 457
TYR B 515
VAL B 226
1.77A17.72
 ZN  B 901 (-2.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR E 363
ASP E 393
SER E 336
VAL E 337
TYR E 438
1.67A14.85
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR E 363
ASP E 393
SER E 336
VAL E 337
TYR E 438
1.66A14.11
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3scj ACE2
(Homo
sapiens)		5 / 12
ASP A 269
ASP A 499
SER A 507
VAL A 506
TYR A 127
1.53A21.80
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR F 363
ASP F 393
SER F 336
VAL F 337
TYR F 438
1.56A13.85
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR F 363
ASP F 393
SER F 336
VAL F 337
TYR F 438
1.60A13.85
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 269
TRP B 271
SER B 507
VAL B 506
TYR B 127
1.47A21.80
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
HIS A 114
LEU A 156
ASP A 102
GLN A 115
GLY A 112
1.68A20.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
LEU A 174
SER A 181
GLN A 238
SER A 241
GLY A 202
1.70A20.92
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 11
LEU B  67
GLN B  49
GLN A 233
GLY B  47
GLY A 210
1.80A17.92
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
PHE D 377
CYH D 382
PHE D 384
1.78A9.87
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
PHE D 377
CYH D 382
PHE D 384
1.76A10.23
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU A 174
GLN A 175
GLN A 238
SER A 240
GLY A 202
1.76A20.62
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 11
LEU E  67
GLN E  49
GLN D 233
GLY E  47
GLY D 210
1.67A17.34
None
None
None
5MW  E  48 ( 2.4A)
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.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
PHE B 377
CYH B 382
PHE B 384
1.62A10.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLN D 441
SER D 507
TYR D 498
TYR D 392
ASN D 386
1.77A16.57
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU B 174
SER B 181
GLN B 238
SER B 241
GLY B 202
1.68A20.43
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
CYH A1025
HIS A1030
PHE A1024
1.79A5.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
THR A 567
ASP A 564
GLY A 311
SER A 310
ASN A 375
1.68A20.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
GLN C 599
ASP A 719
SER A 717
SER A 750
GLY C 580
1.52A12.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		5x5c S PROTEIN
(MERS-CoV)		5 / 11
LEU B 964
SER B 950
GLN B 857
SER B 855
GLY B 953
1.75A10.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ASP B 580
GLY C  61
TYR B 632
TYR B 577
ASN B 475
1.54A18.75
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 597
ASP B 719
GLN C 301
GLY C 580
GLY C 579
1.62A12.12
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR C 363
ASP C 393
SER C 336
VAL C 337
TYR C 438
1.63A20.02
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU A1031
GLN A1018
GLN A 895
GLY A 890
GLY A 892
1.79A12.15
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR C 363
ASP C 393
SER C 336
VAL C 337
TYR C 438
1.68A20.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU C 597
ASP A 719
GLN C 301
GLY C 580
GLY C 579
1.63A12.15
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN B 614
SER B 607
THR B 608
VAL B 628
ASN B 626
1.73A9.21
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ASP D 269
ASP D 499
SER D 507
VAL D 506
TYR D 127
1.65A21.94
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6jyt HELICASE
(SARSr-CoV)		3 / 3
CYH B 471
PHE B 587
PHE B 472
1.65A8.71
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		6jyt HELICASE
(SARSr-CoV)		3 / 3
CYH B 342
HIS B 311
PHE B 343
1.77A8.71
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
LEU A  61
GLN A  63
SER A 483
SER A 487
GLY A 395
1.42A16.64
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6m18 ACE2
(Homo
sapiens)		5 / 12
ASP D 269
ASP D 499
SER D 507
VAL D 506
TYR D 127
1.57A23.33
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		6m71 NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
HIS A 613
PHE A 766
1.74A7.11
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6m71 NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
PHE A 753
PHE A 766
1.71A7.11
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU C 745
GLN C 744
GLN A 301
SER C 717
GLY C 751
1.55A12.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR C 904
TRP C 886
GLY C1035
VAL B1040
ASN B1108
1.70A20.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR B 194
ASP B 302
GLY B 157
SER B 155
TYR B 325
1.60A18.19
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
THR C 257
TYR C 251
GLY C 209
VAL C 220
TYR C 207
1.63A17.33
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.
1RKW_A_PNTA225_0
(TRANSCRIPTIONAL
REGULATOR QACR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLU C 252
GLN C 215
THR C 210
TYR C 251
VAL C 242
1.71A20.43
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 305
TYR A 251
GLY A 209
VAL A 220
TYR A 207
1.67A17.33
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
THR C 257
TYR C 251
GLY C 209
VAL C 220
TYR C 207
1.63A17.33
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 305
TYR A 251
GLY A 209
VAL A 220
TYR A 207
1.68A17.33
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6934
ASP A6931
ASP A6928
GLY A6871
TYR A6930
1.71A17.18
FMT  A7103 (-4.6A)
None
SAH  A7102 (-3.7A)
SAH  A7102 (-4.4A)
FMT  A7103 ( 4.3A)
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wkq NSP16
(SARS-CoV-2)		5 / 12
THR A6934
ASP A6931
ASP A6928
GLY A6871
TYR A6930
1.72A17.18
FMT  A7105 ( 4.6A)
None
SFG  A7103 ( 3.6A)
SFG  A7103 ( 4.2A)
FMT  A7105 ( 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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR A 194
ASP A 302
GLY A 157
SER A 155
TYR A 325
1.67A17.28
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
TYR A 194
ASP A 302
GLY A 157
SER A 155
TYR A 325
1.66A17.28
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6934
ASP A6928
GLY A6871
SER A6872
TYR A6930
1.80A17.18
None
SAH  A7101 (-3.7A)
SAH  A7101 (-4.3A)
SO4  A7109 (-4.5A)
GTA  A7102 ( 3.9A)
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6934
ASP A6931
ASP A6928
GLY A6871
TYR A6930
1.63A17.18
None
None
SAH  A7101 (-3.7A)
SAH  A7101 (-4.3A)
GTA  A7102 ( 3.9A)
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
THR A6934
ASP A6928
GLY A6871
SER A6872
TYR A6930
1.77A17.18
None
SAH  A7101 (-3.7A)
SAH  A7101 (-4.3A)
SO4  A7109 (-4.5A)
GTA  A7102 ( 3.9A)
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A 305
TYR A 251
GLY A 209
VAL A 220
TYR A 207
1.79A17.53
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		6xez NSP13
(SARS-CoV-2)		3 / 3
CYH F 471
PHE F 587
PHE F 472
1.18A9.92
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  31
THR H 104
TYR L 102
SER L  26
TYR L  97
1.54A14.68
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR E 369
GLY H 101
VAL E 382
TYR E 365
ASN E 388
1.77A14.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR E 369
GLY H 101
VAL E 382
TYR E 365
ASN E 388
1.73A14.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L  31
THR H 104
TYR L 102
SER L  26
TYR L  97
1.53A14.68
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.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C  31
THR B 104
TYR C 102
SER C  26
TYR C  97
1.54A14.68
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		7btf NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
HIS A 613
PHE A 766
1.75A7.11
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		7btf NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
PHE A 753
PHE A 766
1.70A7.11
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A  69
ASP A  67
TYR A 149
TYR A 217
TYR A 122
1.73A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HII_B_PNTB901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A  69
ASP A  67
TYR A 149
TYR A 217
TYR A 122
1.75A21.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
HIS A 613
PHE A 766
1.76A7.15
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
CYH A 765
HIS A 613
PHE A 766
1.77A7.15
None