PDB ID: 5c5n


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5c5n'

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 through AutoDock Vina.

DrReposER ID / Desc. Drug 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.
3CLD_A_GW6A1_1
(GLUCOCORTICOID
RECEPTOR)		Fluticasone furoate5 / 12
GLY A 179
LEU A  87
CYH A  44
LEU A  27
PHE A 181
1.67A21.47
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol5 / 12
LEU A 115
VAL A 114
SER A 123
HIS A 163
HIS A 172
1.61A22.12
None
None
None
SLH  A 401 (-4.1A)
SLH  A 401 ( 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.
5FXT_A_0LAA1376_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen4 / 7
LEU A  27
THR A  25
ILE A  43
MET A  49
1.31A20.05
None
None
None
SLH  A 401 (-3.3A)
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		Argatroban5 / 12
TYR A 182
LEU A 177
GLY A 146
CYH A 145
GLY A  29
1.77A20.25
None
None
None
SLH  A 401 (-1.7A)
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.27A23.08
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
ASN A 214
ILE A 259
ALA A 260
VAL A 247
LEU A 250
1.43A21.32
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.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		4-Androstenedione5 / 12
VAL A 148
PRO A   9
SER A  10
VAL A  13
VAL A 157
1.52A23.18
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.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 5
GLY A 179
THR A 175
ASN A  84
LYS A 180
1.46A20.75
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
LEU A 282
ALA A 210
ILE A 213
THR A 304
ASP A 216
1.52A18.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.39A20.80
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.
4A83_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
GLY A 183
PHE A 185
LYS A 180
TYR A 161
LEU A 167
1.49A19.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib3 / 3
ARG A 279
ILE A 281
PHE A 219
0.81A19.48
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.
1E7C_A_HLTA4005_1
(SERUM ALBUMIN)		Halothane4 / 5
LEU A 268
LEU A 287
ILE A 281
ALA A 206
1.08A18.70
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
TYR A 209
LEU A 208
LEU A 205
ALA A 267
1.53A23.51
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.
4O8F_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
CYH A 145
SER A 144
MET A  49
HIS A 172
TYR A 126
1.72A21.21
SLH  A 401 (-1.7A)
SLH  A 401 (-3.8A)
SLH  A 401 (-3.3A)
SLH  A 401 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 250
THR A 201
ALA A 206
VAL A 296
ALA A 210
1.57A20.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB301_1
(CHITOSANASE)		Glucosamine3 / 3
GLY A 183
PRO A 184
GLN A 192
1.41A23.91
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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
GLY A 120
GLY A  29
TYR A  37
VAL A 148
1.18A20.24
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.
1EIZ_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A 129
GLY A 109
LEU A 208
LEU A 282
LYS A   5
1.31A18.15
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.
6A5Z_L_9CRL501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.70A22.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.55A23.71
SLH  A 401 (-3.8A)
None
None
None
SLH  A 401 ( 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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		Imatinib5 / 9
LEU A  30
VAL A  36
GLY A 146
PRO A  39
LEU A  27
1.60A20.22
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		Paroxetine6 / 12
VAL A 204
LEU A 287
LEU A 242
LEU A 272
THR A 198
LEU A 268
1.59A20.92
18.83
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 10
PHE A 219
GLN A 306
PHE A 305
ASP A 216
ALA A 211
1.64A21.70
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		Prochlorperazine4 / 8
SER A 123
PHE A 140
SER A 147
LEU A  27
1.45A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene4 / 7
VAL A  68
ASN A  28
GLY A 146
VAL A  42
1.00A22.13
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.66A20.85
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.64A20.85
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
GLY A 215
ASP A 216
ARG A 217
ILE A 259
THR A 257
1.62A22.91
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
PHE A 140
GLY A 170
ALA A 173
GLY A 138
LEU A  32
1.42A17.70
10.07
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		Lopinavir5 / 12
GLY A 195
ALA A 194
ASP A 197
GLY A 183
LEU A 167
1.37A18.75
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 7
VAL A 212
ILE A 281
GLY A 109
ALA A 206
1.13A21.49
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine6 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
THR A 175
TYR A 182
1.71A20.18
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 9
PHE A 219
GLN A 306
PHE A 305
ASP A 216
ALA A 211
1.67A21.70
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
THR A  35
PRO A  39
ARG A  40
1.24A21.08
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
PHE A 219
LEU A 220
THR A 304
ASN A 214
1.34A22.49
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.41A21.21
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.69A22.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine6 / 12
ILE A 249
SER A 254
ALA A 211
VAL A 212
PHE A 291
VAL A 204
1.62A22.39
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin3 / 3
LYS A 236
LEU A 232
ALA A 234
1.75A19.12
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.
3OGP_A_017A200_1
(FIV PROTEASE)		Darunavir5 / 9
GLY A 195
ALA A 194
ASP A 197
GLY A 183
LEU A 167
1.52A18.75
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		Diclofenac5 / 11
ASN A 133
PHE A 185
LEU A 167
GLY A 183
ARG A 131
1.49A17.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
MET A 130
ASP A 197
SER A 144
GLN A 192
PHE A 185
1.69A21.52
None
None
SLH  A 401 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.23A19.15
None
None
None
SLH  A 401 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		Grazoprevir4 / 9
ASP A  33
LEU A 177
VAL A 157
SER A 158
1.38A23.13
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.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine4 / 5
CYH A  22
LEU A  89
SER A  65
LEU A  87
1.12A23.12
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.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLN A 110
THR A 111
LEU A 250
0.69A22.36
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU A 208
LEU A 205
ALA A 206
ILE A 286
LEU A 282
1.44A21.09
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.37A45.31
None
SLH  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
GLY A 174
GLY A 183
HIS A 164
ASP A 176
LEU A 177
1.15A21.22
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.49A20.21
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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A5 / 12
MET A  17
THR A 175
LEU A  89
LEU A  86
LEU A  27
1.60A18.36
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.
5B2S_A_ACTA107_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 212
THR A 257
ARG A 217
1.32A12.63
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone4 / 5
GLY A  23
LEU A  27
ILE A  43
LEU A  89
1.07A21.21
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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		Etacrynic acid4 / 7
GLY A 149
ILE A 106
TYR A 182
GLY A 174
1.27A20.13
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal5 / 9
LEU A  27
THR A  25
ILE A  43
PRO A  52
MET A  49
1.66A20.05
None
None
None
None
SLH  A 401 (-3.3A)
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 7
TYR A 239
LEU A 242
LEU A 205
CYH A 265
1.24A19.94
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 8
TYR A 239
LEU A 242
LEU A 205
CYH A 265
1.21A19.94
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.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		Diclofenac5 / 9
LEU A 242
PHE A 230
ALA A 267
LEU A 287
LEU A 272
1.45A20.75
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		Ibrutinib6 / 12
GLY A 215
MET A 264
LEU A 250
LEU A 253
LEU A 220
ILE A 259
1.47A19.80
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.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY A 120
VAL A  42
PRO A  39
CYH A  38
GLY A  29
1.60A19.77
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.
1EJ0_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A 129
GLY A 109
LEU A 208
LEU A 282
LYS A   5
1.28A18.15
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		Acetic acid3 / 3
VAL A 212
THR A 257
ARG A 217
1.32A12.70
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
GLY A 174
ASP A 176
ILE A 106
GLY A 149
VAL A 114
1.47A16.96
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.66A20.85
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 174
ILE A 136
ASP A 187
HIS A 172
LEU A 167
1.27A19.15
None
None
None
SLH  A 401 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.73A20.85
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.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		Tacrine5 / 9
GLY A 146
PHE A 140
ILE A 136
HIS A 163
GLY A 174
1.76A20.07
None
None
None
SLH  A 401 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
THR A 257
GLY A 215
ASP A 216
ARG A 217
ILE A 259
1.67A22.91
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.50A21.02
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.65A20.94
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.66A21.14
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.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
LEU A 250
1.42A20.92
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.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)		Tioguanine4 / 8
GLY A 124
LEU A 115
SER A 113
ALA A   7
1.17A21.34
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU A  30
VAL A 148
CYH A  38
LEU A  86
THR A 175
1.62A21.05
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		Glucosamine3 / 3
GLY A 183
PRO A 184
GLN A 192
1.35A23.91
None