Ligand ID: 15U


Drugbank ID:
DB00278
(Argatroban)


Indication:
Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention.

Get human targets for 15U in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '15U' 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.
4HFP_D_15UD402_1
(PROTHROMBIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.44A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.32A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.47A21.70
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.42A20.85
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU B 342
LEU B 309
ALA B 220
GLY B 312
GLY B 230
1.50A20.07
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		2ajf ACE2
(Homo
sapiens)		5 / 12
LEU B 444
LEU B 266
ALA B 264
GLY B 268
GLY B 272
1.48A19.73
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR F 481
ILE F 489
ASP B 350
GLU B  37
GLY B 354
1.40A22.52
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.45A20.80
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.47A21.41
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
LEU H 292
ALA H 274
ILE G 321
GLY H 285
GLY H 279
1.51A17.24
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR S 410
LEU S 412
ALA S 384
GLY S 418
GLY S 368
1.53A21.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU C  54
ALA B 103
ALA C  40
GLY C  49
GLY C  47
1.33A18.51
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR B 137
LEU B 121
LEU B 179
ALA B 205
ALA B 177
1.75A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
ASP E 376
GLY E 418
1.51A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 10
LEU B  45
LEU B 165
ALA B 157
ALA B 166
GLY B 231
1.57A20.67
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2hsx LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		5 / 12
LEU A  50
ALA A  27
ALA A  79
VAL A  58
GLY A  19
1.21A18.53
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.39A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR C 178
LEU C 122
ILE C  85
GLU C 145
VAL C 131
1.47A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.43A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.50A21.91
None
None
None
None
SAH  A1293 (-3.6A)
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.39A20.61
None
None
None
None
SAH  A1293 (-3.6A)
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.51A21.63
None
None
None
None
SFG  A1298 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.38A20.61
None
None
None
None
SAH  A1300 (-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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
TYR A 410
LEU A 412
ALA A 384
GLY A 418
GLY A 368
1.53A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
GLY E 418
GLY E 368
1.47A22.52
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
GLY E 418
GLY E 368
1.49A22.52
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 444
LEU A 266
ALA A 264
GLY A 268
GLY A 272
1.48A19.30
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
GLY E 418
GLY E 368
1.49A22.52
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.37A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.41A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
TYR B 137
LEU B 121
LEU B 179
ALA B 205
ALA B 177
1.67A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.47A21.35
None
None
None
None
SAM  A 302 (-3.4A)
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
TRP A 124
LEU A  89
ALA A  79
ALA A 107
GLY A  81
1.40A19.24
None
None
None
None
SAM  A 302 (-3.4A)
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
GLY E 418
GLY E 368
1.55A21.64
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR E 410
LEU E 412
ALA E 384
GLY E 418
GLY E 368
1.44A22.52
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		3scj ACE2
(Homo
sapiens)		5 / 12
LEU A 444
LEU A 266
ALA A 264
GLY A 268
GLY A 272
1.49A19.73
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
LEU F 412
ALA F 384
GLY F 418
GLY F 368
1.50A22.52
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 444
LEU A 266
ALA A 264
GLY A 268
GLY A 272
1.45A19.13
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR F 410
LEU F 412
ALA F 384
GLY F 418
GLY F 368
1.49A22.14
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.42A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.45A19.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 12
LEU A 186
ILE A 223
GLU A 204
GLY B  47
GLY A 210
1.60A21.30
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.38A19.70
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 186
ILE B 223
GLU B 204
GLY A  47
GLY B 210
1.53A22.19
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.41A20.72
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5c5o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
TYR B 239
LEU B 268
ALA B 210
GLU B 288
ALA B 206
1.40A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
LEU D 105
ALA C   1
ALA D 100
VAL D 101
GLY C  -1
1.20A18.79
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
LEU D 105
ALA C   1
ALA D 100
VAL D 101
GLY C  -1
1.08A19.70
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
LEU D 105
ALA C   1
ALA D 100
VAL D 101
GLY C  -1
1.16A19.62
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
LEU D 105
ALA C   1
ALA D 100
VAL D 101
GLY C  -1
1.30A18.75
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR D 137
LEU D 121
LEU D 179
ALA D 205
ALA D 177
1.65A19.83
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU A 411
ALA A 281
GLY A 413
CYH A 261
GLY A 416
1.59A18.54
None
None
None
ZN  A 602 (-2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR B 137
LEU B 121
LEU B 179
ALA B 205
ALA B 177
1.79A21.96
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 283
ALA A 658
ALA A 595
VAL A 583
GLY A 298
1.46A12.64
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 283
ALA A 658
ALA A 595
VAL A 583
GLY A 298
1.17A11.82
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ASP C 414
GLU B 730
ALA B 971
VAL B 969
GLY C 400
1.41A11.96
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
ILE C1055
GLU B 367
ALA B 368
VAL B 604
GLY B 613
1.45A11.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
TYR A 200
ALA A 233
ALA A  91
VAL A  98
GLY A 100
1.56A12.61
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ALA A 874
ILE C 891
ASP C1023
GLY C1028
GLY C1026
1.52A11.96
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR C 410
LEU C 412
ALA C 384
GLY C 418
GLY C 368
1.46A11.82
TYR  C 410 ( 1.3A)
LEU  C 412 ( 0.5A)
ALA  C 384 ( 0.0A)
GLY  C 418 ( 0.0A)
GLY  C 368 ( 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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 410
TRP A 340
LEU A 412
GLY A 418
GLY A 368
1.56A12.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		6acj ACE2
(Homo
sapiens)		5 / 12
TYR D 252
LEU D 248
ALA D 264
VAL D 487
GLY D 448
1.45A19.02
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 410
LEU A 412
ALA A 384
GLY A 418
GLY A 368
1.46A11.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 283
ASP C 649
ALA C 658
ALA C 595
GLY C 298
1.46A11.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C 874
ILE B 891
ASP B1023
GLY B1028
GLY B1026
1.44A11.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ALA C 874
ILE B 891
ASP B1023
GLY B1028
GLY B1026
1.47A11.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
TYR B1029
LEU C 876
ALA C 874
GLY C 867
GLY C 862
1.38A12.43
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6cs2 ACE2
(Homo
sapiens)		5 / 12
LEU D 444
LEU D 266
ALA D 264
GLY D 268
GLY D 272
1.49A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
TRP B 619
LEU B 615
LEU B 597
ALA B 633
GLY B 580
1.67A12.43
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6m17 ACE2
(Homo
sapiens)		5 / 12
LEU D 444
LEU D 266
ALA D 264
GLY D 268
GLY D 272
1.59A17.26
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		6m1d ACE2
(Homo
sapiens)		5 / 12
TYR B  83
LEU B  97
ASP B 213
GLU B  87
GLY B 211
1.38A16.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 398
ALA C 318
VAL C 317
GLY C  53
GLY C  51
1.10A17.84
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 410
LEU A 412
ALA A 384
GLY A 418
GLY A 368
1.56A11.66
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		6nur NSP12
(SARSr-CoV)		5 / 12
HIS A 572
LEU A 576
ILE A 589
ASP A 477
ALA A 639
1.33A14.11
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 12
TYR A 374
LEU B  91
LEU B 117
ALA A 399
GLY A 385
1.55A15.57
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6nus NSP12
NSP8
(SARSr-CoV)		5 / 12
LEU B  95
LEU B 117
ALA A 399
ALA A 379
GLY A 385
1.22A20.07
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.
4HFP_B_15UB402_1
(PROTHROMBIN)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR F 423
LEU F 425
ALA F 397
GLY F 431
GLY F 381
1.51A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
TYR L  36
LEU H   4
ALA H  78
TRP H  47
GLY H  35
1.70A19.66
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
TYR L  36
LEU H   4
ALA H  78
TRP H  47
GLY H  35
1.69A19.66
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 10
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.65A24.09
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
ILE B  93
GLU C 171
ALA C  90
VAL C  91
GLY B  44
1.54A
None
None
None
1PE  C 301 (-4.9A)
1PE  C 301 ( 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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C  42
LEU B   4
ALA B  79
TRP B  47
GLY B  35
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 10
TYR C  42
LEU B   4
ALA B  79
TRP B  47
GLY B  35
1.64A24.09
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 10
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.61A24.09
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C  42
LEU B   4
ALA B  79
TRP B  47
GLY B  35
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 10
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.64A24.09
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 10
TYR C  42
LEU B   4
ALA B  79
TRP B  47
GLY B  35
1.65A24.09
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L  42
LEU H   4
ALA H  79
TRP H  47
GLY H  35
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L 179
LEU L  11
ALA L  19
ALA L  12
VAL L  13
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C 179
LEU C  11
ALA C  19
ALA C  12
VAL C  13
1.60A
None