SIMILAR PATTERN OF AMINO ACIDS MAPPED TO UNIPROT ID 'Q6JH39'

DrReposER ID / Desc. Drug 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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.41A20.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		Nicotinamide2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
VAL A 116
ALA A  54
VAL A  97
LEU A  92
THR A 111
1.68A13.64
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.
5HPU_C_IPHC101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
CYH A  17
LEU A  75
HIS A  80
LEU A  14
1.66A14.58
13.16
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASP A  91
LEU A  92
GLN A  98
0.92A16.10
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
VAL A 108
THR A 111
VAL A  97
GLY A  70
1.35A10.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  92
GLY A  70
ILE A  55
PHE A 110
1.52A8.30
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.
4X1Y_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
1.10A14.41
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
MET A  63
PRO A 100
GLY A 127
MET A 122
1.71A14.21
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A 121
GLY A  50
CYH A  46
ASN A  62
ALA A  61
1.33A18.22
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		Propofol2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PHE A  68
LEU A  92
SER A  72
1.56A10.69
GOL  A 301 (-4.7A)
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  81
LEU A 112
ILE A  38
PRO A  37
LEU A  14
1.47A17.19
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.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		Aripiprazole2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
ASN A 105
TYR A  27
VAL A  13
LEU A  14
1.50A10.69
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A  97
MET A 122
THR A 101
ILE A  99
THR A  56
1.43A17.24
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.
5XXI_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
PRO A 107
GLY A 109
THR A 111
LYS A  28
1.69A13.82
GOL  A 301 ( 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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
TYR A  96
GLY A  94
GLY A  70
GLY A  69
LEU A  92
1.65A14.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
CYH A  41
LEU A  92
THR A 111
THR A  39
ILE A  38
1.62A21.05
GOL  A 301 (-3.0A)
None
None
GOL  A 301 (-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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		Benzoic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
THR A 111
TRP A 123
THR A 115
ALA A  54
LEU A  92
1.55A15.38
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.
3GWV_A_RFXA801_1
(TRANSPORTER)		Fluoxetine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  35
LEU A  31
ILE A  38
ALA A  26
LEU A  14
1.34A11.05
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.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  81
LEU A  31
ASP A 106
LYS A  93
ILE A  38
1.52A18.53
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.
1SQ5_C_PAUC6002_0
(PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  31
GLY A 109
LEU A 112
TYR A 126
ILE A  99
1.69A16.56
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.
2O4P_A_TPVA300_2
(PROTEASE)		Tipranavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.51A20.90
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.
2A8T_A_ADNA252_1
(U8 SNORNA-BINDING
PROTEIN X29)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
ARG A  78
GLY A  70
PHE A  68
THR A 111
ILE A  38
1.64A18.32
None
None
GOL  A 301 (-4.7A)
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLU A  60
THR A  56
GLN A  53
ASN A  62
1.69A16.08
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		Minocycline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
PHE A  68
GLY A  69
GLY A 109
ASN A 105
1.69A13.79
None
GOL  A 301 (-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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		Aminoglutethimide2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
PRO A 107
GLU A  66
PHE A  68
TRP A 123
1.77A23.70
GOL  A 301 ( 4.7A)
None
GOL  A 301 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A 113
VAL A 116
GLY A  52
0.90A20.45
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.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Bimatoprost2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR A  27
LEU A  92
SER A  72
ASN A 114
TYR A 126
1.53A14.81
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.
1SQ5_A_PAUA6001_0
(PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  31
GLY A 109
LEU A 112
TYR A 126
ILE A  99
1.69A16.56
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		Mannitol2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  50
ALA A  61
ALA A  54
VAL A 116
GLN A  65
1.68A15.14
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  92
THR A 111
GLY A  69
THR A  56
ILE A  55
1.72A17.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
MET A  63
PRO A 100
GLY A 127
MET A 122
1.59A14.48
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.
2EZ7_A_DHIA301_0
(CARBONIC ANHYDRASE 2)		L-Histidine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
ASN A  62
GLN A  65
THR A  56
PRO A  59
1.64A19.28
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Deoxycholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
PRO A 100
ALA A 104
PRO A 107
ILE A  99
THR A 111
1.64A14.41
14.89
None
None
GOL  A 301 ( 4.7A)
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
CYH A  90
HIS A  83
1.25A14.89
 ZN  A 302 (-2.2A)
ZN  A 302 (-2.3A)
ZN  A 302 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		Varenicline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR A  76
CYH A  77
CYH A  74
ILE A  55
1.34A16.59
None
ZN  A 302 (-2.2A)
ZN  A 302 (-2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
GLN A  53
THR A  56
THR A  47
HIS A  48
1.58A12.30
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  81
LEU A 112
ILE A  38
PRO A  37
LEU A  14
1.47A17.19
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.
3MYU_A_VIBA500_1
(HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37)		Thiamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ASN A  10
TYR A  27
ASP A 106
TYR A  30
GLY A  34
1.66A15.76
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.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  52
GLY A 121
GLU A  60
ILE A  99
VAL A  97
1.40A17.10
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.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
THR A 111
LEU A  92
PHE A  89
ASN A  85
LEU A 112
1.49A13.28
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR A  76
LEU A 112
VAL A 108
GLY A 109
VAL A  97
1.71A13.51
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A  98
GLU A  66
PHE A  68
GLY A  70
ALA A  71
1.49A9.11
None
None
GOL  A 301 (-4.7A)
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.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 7
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.51A20.45
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.
6HLP_A_GAWA1501_0
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		Netupitant2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
ASN A  40
ILE A  38
VAL A 108
THR A 111
PHE A  68
PRO A  59
1.75A10.17
None
None
None
None
GOL  A 301 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		L-Valine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  56
PRO A  59
THR A  58
1.22A7.21
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLY A  35
SER A  33
ALA A  32
ASN A  10
VAL A  13
1.67A14.14
17.46
18.75
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.
4LL3_A_017A202_2
(PROTEASE)		Darunavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.44A21.32
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		Carbocisteine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
SER A  72
GLY A  69
VAL A 108
THR A 111
1.50A6.73
22.40
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
THR A 111
LEU A  92
SER A  72
ASN A 105
1.43A19.87
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.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Dasatinib2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
VAL A 108
HIS A  80
LEU A  92
CYH A  90
1.53A19.48
None
None
None
ZN  A 302 (-2.3A)
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.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  12
HIS A   8
ASN A  10
1.59A18.57
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.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		Acetazolamide2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
HIS A   8
LEU A  14
THR A  12
VAL A  13
VAL A 108
1.49A17.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  38
TYR A  27
HIS A  83
TYR A  76
ARG A  78
1.67A17.76
None
None
ZN  A 302 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
VAL A 108
LYS A  43
MET A  44
1.64A18.78
None
GOL  A 301 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_1
(PROTEASE)		Saquinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.31A20.45
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		Minocycline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
PHE A  68
GLY A  69
GLY A 109
ASN A 105
1.69A13.79
None
GOL  A 301 (-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.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
CYH A  73
ILE A  38
CYH A  41
ALA A 104
1.61A14.58
13.16
None
None
GOL  A 301 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		Lopinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.42A20.90
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG A  78
SER A  11
VAL A  21
ALA A  26
TYR A  27
1.46A17.48
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.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
VAL A  97
THR A 111
ASP A  91
LEU A  92
1.50A17.41
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.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  52
GLY A  50
ALA A  54
ASP A  64
THR A  47
1.68A17.41
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
GLN A  53
THR A  56
THR A  47
HIS A  48
1.62A13.08
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.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA A  18
PHE A  16
SER A  33
LEU A  31
TYR A  76
1.55A14.48
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		Glucosamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLU A  60
THR A  47
GLY A  50
THR A  49
1.47A18.22
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
0.90A14.41
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  92
ASP A  91
VAL A  97
ILE A  55
1.21A20.45
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
PRO A  84
ASP A  91
1.31A17.58
 ZN  A 302 (-2.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		Ceftriaxone2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  99
THR A  56
THR A  51
GLY A  52
GLY A 127
1.55A22.87
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.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
LEU A 112
THR A 111
ILE A  81
HIS A  83
1.61A20.65
None
None
None
ZN  A 302 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		Acetaminophen2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 7
SER A  67
THR A  47
GLY A  50
GLY A  52
ALA A  61
1.41A11.99
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.48A19.12
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.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)		Methotrexate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PRO A  23
ASP A 106
LEU A 112
TYR A  27
LEU A  92
1.32A18.15
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		L-Valine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ALA A  61
VAL A  97
TRP A 123
1.79A6.67
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.41A19.85
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.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.75A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_1
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
HIS A  80
ASP A  82
ASN A  85
0.94A16.73
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.46A19.12
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		Cyclothiazide2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  14
ASP A  22
ILE A  38
PRO A  37
GLY A 109
1.70A8.29
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		Testosterone2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
TYR A  27
TYR A  30
HIS A   8
PRO A 107
1.40A16.10
None
None
None
GOL  A 301 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.79A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.78A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB5_0
(FERROCHELATASE)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PRO A  23
LEU A  75
ARG A  78
1.30A14.21
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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		Nelfinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.44A20.90
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.33A20.45
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.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
CYH A  90
HIS A  83
1.30A14.19
 ZN  A 302 (-2.2A)
ZN  A 302 (-2.3A)
ZN  A 302 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FLC_C_RAPC999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		Sirolimus2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLU A  60
SER A  67
PHE A  68
GLY A  69
1.14A6.74
None
None
GOL  A 301 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TYR A  27
GLY A 109
LEU A  14
ARG A  78
1.20A19.86
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		Minocycline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
ARG A  78
PHE A  68
GLY A  69
GLY A 109
ASN A 105
1.69A13.79
None
GOL  A 301 (-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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.36A20.45
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
VAL A  97
PHE A 110
ARG A 113
1.59A15.05
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
GLN A  53
THR A  56
THR A  47
HIS A  48
1.64A12.27
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.
6F3N_A_ADNA505_2
(-)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
GLN A  53
THR A  56
THR A  47
HIS A  48
1.61A13.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  70
GLY A  94
ASP A  91
CYH A  90
ILE A  99
1.80A13.21
None
None
None
ZN  A 302 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A 112
VAL A 108
CYH A  73
CYH A  41
1.65A15.62
None
None
None
GOL  A 301 (-3.0A)
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.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLN A  53
GLY A  50
GLY A  52
THR A  58
1.22A15.62
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.
3E22_B_LOCB700_1
(TUBULIN ALPHA-1C
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
0.81A15.80
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)		Thalidomide2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
PRO A 107
PHE A  68
SER A  67
TRP A 123
1.60A23.70
GOL  A 301 ( 4.7A)
GOL  A 301 (-4.7A)
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLY A  70
GLY A  69
GLN A  98
0.80A13.54
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
0.90A14.41
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA A  18
LEU A  14
HIS A  83
LEU A 112
ALA A  26
1.47A22.30
None
None
ZN  A 302 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		Cefoxitin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  11
SER A  15
HIS A  80
1.23A15.43
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.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG A  78
SER A  11
VAL A  21
ALA A  26
TYR A  27
1.69A17.48
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		Tipranavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.48A19.40
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.
3AQI_B_CHDB4_0
(FERROCHELATASE)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
MET A  63
PRO A 100
GLY A 127
MET A 122
1.75A14.21
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
THR A 111
GLY A  69
THR A  56
ILE A  55
1.69A17.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		Creatine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
THR A 111
VAL A 108
CYH A  41
SER A  72
1.60A15.00
None
None
GOL  A 301 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
CYH A  90
HIS A  83
1.28A14.89
 ZN  A 302 (-2.2A)
ZN  A 302 (-2.3A)
ZN  A 302 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		Ceftriaxone2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ILE A  99
THR A  56
THR A  51
GLY A  52
GLY A 127
1.46A22.87
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.
6FGD_A_ACTA821_0
(GEPHYRIN)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A 113
PHE A 110
GLY A 109
1.55A16.39
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  72
THR A  56
GLN A  98
1.17A17.26
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.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
GLN A  53
THR A  56
THR A  47
HIS A  48
1.62A12.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  75
CYH A  74
THR A 111
GLY A 109
1.45A18.48
None
ZN  A 302 (-2.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		Bortezomib2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
VAL A  97
GLU A  60
ILE A  55
GLY A  94
ALA A  71
1.68A10.49
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.
3G2O_B_SAMB600_0
(PCZA361.24)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU A  60
ALA A  61
ASP A  64
SER A  67
GLU A  66
1.37A17.23
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLY A  70
THR A 102
PRO A 107
0.91A12.22
None
None
GOL  A 301 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		Glycine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY A  52
THR A  51
GLU A  60
THR A  56
1.07A16.33
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.
3EM6_A_017A200_2
(PROTEASE)		Darunavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.45A24.37
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		Suramin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
THR A 111
PRO A 100
ASN A 114
GLY A 125
GLY A 109
1.75A13.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		Copper2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
CYH A  90
HIS A  83
1.32A14.19
 ZN  A 302 (-2.2A)
ZN  A 302 (-2.3A)
ZN  A 302 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASN A 105
VAL A  13
HIS A   8
1.61A17.21
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		Saquinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.30A20.45
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.
2BPX_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.52A20.90
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.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  52
GLY A  50
ALA A  54
ASP A  64
THR A  47
1.67A17.41
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.43A20.90
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.
5B3S_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.78A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
GLY A  69
GLY A  70
ILE A  55
SER A  67
THR A  56
1.54A22.48
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		Ethopropazine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY A  35
GLN A  36
SER A  33
PHE A  16
1.39A13.77
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		Dyphylline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
VAL A 108
TYR A  27
VAL A  13
ASN A  10
ASN A  40
1.46A11.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ASP A  64
ALA A  54
TYR A 126
ASN A 114
CYH A 103
1.76A16.01
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		Glycine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
TYR A  27
ARG A 113
GLY A 109
PRO A 107
0.95A14.70
None
None
None
GOL  A 301 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  69
THR A  56
ILE A  55
LEU A  92
THR A 111
1.71A17.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		Cholecalciferol2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
MET A  44
VAL A  97
GLU A  66
1.12A12.21
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
GLN A  53
THR A  56
THR A  47
HIS A  48
1.62A13.96
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  35
SER A  33
ALA A  32
ASN A  10
VAL A  13
1.58A14.14
17.46
18.75
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.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LYS A  43
MET A  44
TYR A  96
ALA A 104
ASN A 105
1.68A19.58
GOL  A 301 (-3.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.63A20.45
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.
1Z9H_D_IMND476_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
CYH A  74
PRO A  84
ILE A  38
VAL A 108
LEU A  31
1.40A19.73
 ZN  A 302 (-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.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		Fusidic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 9
ILE A  99
ALA A  54
VAL A  97
CYH A  73
1.56A10.69
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  52
GLY A 121
GLU A  60
ILE A  99
VAL A  97
1.38A17.10
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.
5ZCQ_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.77A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1R_A_LZUA801_1
(MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1)		Thioridazine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 112
VAL A 108
ALA A  24
LEU A  31
LEU A  14
1.14A15.19
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		L-Valine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  56
PRO A  59
THR A  58
1.11A7.21
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
TYR A  30
SER A  11
GLN A  36
THR A  39
1.66A13.68
None
None
None
GOL  A 301 (-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.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  31
GLY A 109
LEU A 112
TYR A 126
ILE A  99
1.69A16.56
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		Hydroxyamphetamine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  92
ASP A  91
ILE A  99
ILE A  55
1.33A14.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  75
ALA A  26
GLY A 109
LEU A  31
GLY A  35
1.48A18.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Doxycycline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 9
VAL A 108
LEU A  75
ALA A  24
ASP A  22
VAL A  13
ILE A  38
1.53A16.89
11.48
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  70
GLY A  94
VAL A 108
VAL A  97
ASN A  10
1.35A14.62
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.
1SQ5_B_PAUB6003_0
(PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  31
GLY A 109
LEU A 112
TYR A 126
ILE A  99
1.68A16.56
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
GLY A  70
GLY A  94
ASP A  91
CYH A  90
ILE A  99
1.80A13.21
None
None
None
ZN  A 302 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		Rifampicin2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLN A  98
VAL A 116
ARG A  78
PRO A 107
1.49A13.70
None
None
None
GOL  A 301 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  49
MET A  63
HIS A  48
1.27A16.26
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		Nicotine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
LEU A 112
TYR A  27
THR A 111
ASN A  10
1.50A13.57
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		Chlorpromazine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
LEU A  92
GLY A  70
ILE A  99
GLN A  98
1.73A18.12
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.
4LMN_A_EUIA503_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ASP A  91
VAL A 108
ASN A  85
1.26A16.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  69
THR A  56
ILE A  55
LEU A  92
THR A 111
1.69A17.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLY A  50
GLN A  98
GLU A  60
THR A  58
PHE A  68
1.77A11.24
18.18
22.22
None
None
None
None
GOL  A 301 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
1.20A14.41
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLY A  35
ASP A 106
TYR A  27
THR A  39
1.22A14.75
None
None
None
GOL  A 301 (-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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  92
GLY A  70
GLY A  69
VAL A  42
LEU A  75
1.62A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
CYH A  77
PRO A  84
ASP A  91
1.31A17.58
 ZN  A 302 (-2.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 8
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.42A19.40
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
ASN A  85
PRO A  84
GLY A  88
ASP A  91
1.39A12.06
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A  78
LEU A  14
PHE A  16
0.91A17.83
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.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
LEU A  92
ASP A  91
TRP A 123
ILE A  55
1.43A24.46
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.
6AWN_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ALA A 104
GLY A  69
PHE A  68
THR A  39
VAL A  97
1.33A11.61
None
None
GOL  A 301 (-4.7A)
GOL  A 301 (-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.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
GLN A  53
THR A  56
THR A  47
HIS A  48
1.63A13.96
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		L-Valine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  58
THR A  56
PRO A  59
1.09A7.21
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.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
PHE A  68
VAL A  97
VAL A  42
GLY A  70
1.27A17.86
GOL  A 301 (-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.
5XIW_B_LOCB504_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		Colchicine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  15
ALA A  20
VAL A  21
1.23A14.41
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		Paroxetine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
SER A  67
MET A  44
ASP A 106
1.51A10.77
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		L-Valine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
THR A  58
THR A  56
PRO A  59
1.13A7.21
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLY A  35
ASP A 106
TYR A  27
THR A  39
1.17A14.75
None
None
None
GOL  A 301 (-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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
PRO A  59
GLY A  52
ASN A  62
GLY A  50
1.78A13.00
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  70
PHE A  68
SER A  67
VAL A 108
SER A  72
1.46A16.51
None
GOL  A 301 (-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.
3UPR_A_1KXA277_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
PEP-V)		Abacavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
ILE A  81
TYR A  76
LEU A  75
VAL A 108
1.47A7.69
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
GLN A  53
GLY A 121
TRP A 123
ASP A  91
1.44A22.11
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.
2O4P_A_TPVA300_1
(PROTEASE)		Tipranavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.47A20.90
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		Minocycline2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
ARG A  78
PHE A  68
GLY A  69
GLY A 109
ASN A 105
1.67A15.95
None
GOL  A 301 (-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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.48A20.45
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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Progesterone2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU A  92
VAL A  97
ILE A  99
LEU A  75
LEU A 112
1.61A15.48
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
LEU A  92
ASP A  91
GLY A 121
VAL A  97
ILE A  55
1.45A20.45
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.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		Tipranavir2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
ARG A  78
ALA A  26
ASP A  29
GLY A  35
VAL A 108
1.44A19.40
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		S-Adenosylmethionine2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLY A  52
GLU A  60
PHE A  68
PRO A 107
ARG A 113
1.38A13.29
None
None
GOL  A 301 (-4.7A)
GOL  A 301 ( 4.7A)
None