PDB ID: 2fyg


Macromolecule:
REPLICASE POLYPROTEIN 1AB

Source Organism:
SARSr-CoV

Gene names:
orf1ab

UniProt ID:
Q6JH39

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2fyg'

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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		Nicotinamide5 / 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)		Phenol4 / 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.
5OEX_A_CUA604_0
(THIOCYANATE
DEHYDROGENASE)		Copper3 / 3
HIS A   5
HIS A   6
HIS A   7
1.26A12.85
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 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 acid4 / 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 acid4 / 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)		Colchicine3 / 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 Acid4 / 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-Adenosylmethionine5 / 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)		Propofol3 / 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 Acid5 / 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)		Aripiprazole4 / 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)		Pyrimethamine5 / 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)		Losartan4 / 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 acid5 / 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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid4 / 5
VAL A 108
THR A 111
VAL A  97
GLY A  70
1.34A10.58
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.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 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 Acid5 / 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)		Fluoxetine5 / 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 acid5 / 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 acid5 / 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)		Tipranavir5 / 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)		Adenosine5 / 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)		Adenosine4 / 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)		Minocycline5 / 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)		Aminoglutethimide4 / 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)		Indinavir3 / 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)		Bimatoprost5 / 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 acid5 / 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))		Mannitol5 / 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 acid5 / 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 Acid4 / 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-Histidine4 / 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 Acid5 / 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)		Copper3 / 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)		Varenicline4 / 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)		Adenosine4 / 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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		Indinavir3 / 3
ASP A  91
VAL A  97
PRO A 100
1.18A20.45
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.
2AVV_A_MK1A901_2
(POL POLYPROTEIN)		Indinavir3 / 3
ASP A  91
VAL A  97
PRO A 107
1.45A20.45
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 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)		Thiamine5 / 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-Adenosylmethionine5 / 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)		Tretinoin5 / 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)		Camphor5 / 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)		Digoxin5 / 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)		Amphetamine5 / 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)		Netupitant6 / 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-Valine3 / 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 palmitate5 / 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)		Darunavir5 / 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)		Carbocisteine5 / 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)		Benzylpenicillin4 / 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)		Dasatinib4 / 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 Acid3 / 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)		Acetazolamide5 / 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-Adenosylmethionine5 / 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)		Colchicine3 / 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)		Saquinavir5 / 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)		Minocycline5 / 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)		Acetaminophen4 / 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)		Lopinavir5 / 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)		Methotrexate5 / 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 acid4 / 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-Adenosylmethionine5 / 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)		Vidarabine4 / 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)		Pemetrexed5 / 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)		Glucosamine4 / 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)		Colchicine3 / 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)		Amphetamine4 / 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)		Cefotaxime3 / 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)		Ceftriaxone5 / 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)		Raloxifene4 / 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)		Acetaminophen5 / 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)		Darunavir5 / 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)		Methotrexate5 / 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-Valine3 / 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)		Darunavir5 / 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 Acid5 / 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-Adenosylmethionine3 / 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)		Darunavir5 / 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)		Cyclothiazide5 / 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)		Testosterone4 / 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 Acid5 / 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 Acid5 / 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 Acid3 / 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)		Nelfinavir5 / 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)		Saquinavir5 / 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)		Copper3 / 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)		Sirolimus4 / 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 Acid4 / 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)		Minocycline5 / 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)		Indinavir5 / 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)		Agmatine3 / 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)		Fludarabine4 / 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
(-)		Adenosine4 / 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)		Adenosine5 / 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)		Calcidiol4 / 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-Adenosylmethionine4 / 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)		Colchicine3 / 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)		Thalidomide4 / 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 acid3 / 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)		Colchicine3 / 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)		Methotrexate5 / 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)		Cefoxitin3 / 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)		Methotrexate5 / 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)		Tipranavir5 / 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 Acid4 / 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 acid5 / 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)		Creatine4 / 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)		Copper3 / 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)		Ceftriaxone5 / 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 acid3 / 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-Adenosylmethionine3 / 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)		Adenosine4 / 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 acid4 / 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)		Bortezomib5 / 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-Adenosylmethionine5 / 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)		Itraconazole3 / 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)		Glycine4 / 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)		Darunavir5 / 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)		Suramin5 / 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)		Copper3 / 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)		Alitretinoin3 / 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)		Saquinavir5 / 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)		Indinavir5 / 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-Adenosylmethionine5 / 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)		Indinavir5 / 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 Acid5 / 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)		Fosfomycin5 / 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)		Ethopropazine4 / 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)		Dyphylline5 / 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)		Tiotropium5 / 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)		Glycine4 / 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 acid5 / 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)		Cholecalciferol3 / 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)		Adenosine4 / 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 palmitate5 / 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-Adenosylmethionine5 / 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)		Amphetamine4 / 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)		Indomethacin5 / 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 Acid4 / 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-Adenosylmethionine5 / 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 Acid5 / 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)		Thioridazine5 / 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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		L-Valine3 / 3
ALA A  61
VAL A  97
TRP A 123
1.46A8.04
None
Potential target for repurposing, i.e. matched protein structure has less than 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-Valine3 / 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-Adenosylmethionine4 / 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 acid5 / 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)		Hydroxyamphetamine4 / 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)		Crizotinib5 / 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)		Doxycycline6 / 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-Adenosylmethionine5 / 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 acid5 / 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)		Adenosine5 / 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)		Rifampicin4 / 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 acid3 / 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)		Nicotine4 / 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)		Chlorpromazine4 / 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)		Cobimetinib3 / 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 acid5 / 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 Acid5 / 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)		Colchicine3 / 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)		Amodiaquine4 / 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)		Mifepristone5 / 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)		Cefotaxime3 / 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))		Tipranavir5 / 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-Adenosylmethionine4 / 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 Acid3 / 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)		Indinavir4 / 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)		Paroxetine5 / 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)		Adenosine4 / 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-Valine3 / 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 acid4 / 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)		Colchicine3 / 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)		Paroxetine3 / 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-Valine3 / 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)		Amodiaquine4 / 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 acid4 / 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-Adenosylmethionine5 / 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)		Abacavir4 / 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 Violet4 / 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)		Tipranavir5 / 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)		Minocycline5 / 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)		Amprenavir5 / 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)		Progesterone5 / 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)		Indinavir5 / 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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		Adenosine3 / 3
THR A 115
ASN A  85
PHE A  89
1.22A13.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 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-Adenosylmethionine5 / 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