PDB ID: 2ga6


Macromolecule:
ORF1A POLYPROTEIN

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2ga6'

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.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 5
PRO N   8
ALA T  20
ASP T  29
ASP T  22
1.78A22.00
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.
4YNM_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY C 125
ASN C 114
GLN C  65
CYH C 103
ILE C  99
1.61A19.64
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine4 / 6
THR L  51
THR L  56
ASN B  85
ASP B  91
1.33A16.33
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASP Q  91
ASN Q  85
LEU Q 112
GLY Q  70
GLN Q  98
1.71A19.01
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		Indinavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.30A25.17
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		Darunavir5 / 11
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.28A22.30
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.
3OU7_C_SAMC300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
GLY I 109
ASP I 106
ASP M  64
1.30A21.24
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 7
ASP J  29
SER D  11
PHE J  16
ASP J  22
1.55A16.06
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
ALA M 104
CYH M 103
LEU J  45
ALA M  61
LEU M  45
1.78A18.69
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.
4QVV_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.56A21.50
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.
1DRF_A_FOLA187_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid4 / 4
GLU I  60
ASN J  10
ARG J  78
THR I  56
1.78A19.58
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.
2DRD_A_MIYA2001_1
(ACRB)		Minocycline5 / 9
PHE H 110
ASN H  62
ALA H  54
VAL H  97
PHE H  68
1.72A9.29
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.
3OPE_A_SAMA7_0
(PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY G 125
ASN G 114
GLN G  65
CYH G 103
ILE G  99
1.66A19.28
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.
4K8P_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.56A16.90
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		Calcitriol5 / 11
VAL O  21
LEU R  14
VAL R  13
SER R  72
ILE R  38
1.30A15.75
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid3 / 3
THR J  49
LYS I   9
GLU J  60
1.24A19.16
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.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine3 / 3
LEU N  45
MET I  63
ASP M  64
1.27A17.81
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		Adenosine5 / 12
CYH I  90
LEU I  14
GLY I  69
GLY I  70
GLY J  94
1.24A19.68
 ZN  I 998 (-2.3A)
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.
2RCT_A_RTLA140_0
(RETINOL-BINDING
PROTEIN II, CELLULAR)		Vitamin A5 / 12
PHE M  68
ALA M 104
THR M 111
VAL M 116
LEU M  92
1.45A19.28
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.
4Z7F_E_FOLE201_0
(FOLATE ECF
TRANSPORTER)		Folic Acid5 / 9
ALA H  26
TYR H  30
PHE H  16
THR H  12
THR B  12
1.73A16.58
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.
6FGD_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU O  75
LEU O  14
ARG O  78
1.48A18.00
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ASN K  85
ASP K  22
ASP K  82
ILE K  81
1.49A15.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR J 101
HIS M  48
LEU I  45
1.06A19.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_2
(PROTEASE)		Atazanavir5 / 10
ARG V  78
ASP V  29
GLY V  34
GLY V  35
VAL V 108
1.37A22.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA508_0
(CHORISMATE SYNTHASE)		Acetic acid4 / 5
LEU G  31
ARG G 113
ASP G  29
ALA G  32
1.59A15.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.54A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		Theophylline4 / 8
ALA M  20
VAL M  21
ASP M  22
ASP M  29
0.95A18.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4C_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
TYR S  76
LEU S 112
VAL S 108
ASP S  91
1.52A16.01
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.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		Phenylbutazone5 / 12
LEU M  14
PHE R  19
LEU M  75
ILE M  81
ALA M  20
1.29A13.15
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.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.78A13.65
20.35
17.83
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA F  71
VAL F  42
MET E  44
GLY E  70
ALA E  71
1.33A15.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		Diclofenac4 / 7
LEU H  45
SER H  67
THR H  58
VAL D  21
1.28A24.00
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.
3L8L_A_DVAA6_0
(GRAMICIDIN D)		L-Valine3 / 3
ALA M  61
VAL M  97
TRP M 123
1.75A6.04
7.26
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.
3ZQT_A_30ZA1920_1
(ANDROGEN RECEPTOR)		Masoprocol4 / 6
PRO D 107
GLY D 109
LEU D 112
ASN D 114
1.42A21.05
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.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL M 108
LEU M 112
ARG M  78
ALA M  24
TYR M  27
1.63A21.26
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.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.54A21.50
21.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime3 / 3
CYH X  77
PRO X  84
ASP X  91
1.38A19.62
 ZN  X 998 (-2.6A)
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.
3ILT_E_TRUE800_1
(GLUTAMATE RECEPTOR 2)		Trichlormethiazide5 / 10
ILE I  38
SER I  72
PRO I 107
LEU I  75
LEU I  92
1.36A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		Adenosine5 / 11
GLY M 121
VAL M 116
LEU M  92
THR M  56
ASP M  91
1.46A18.64
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir6 / 12
ARG G  78
LEU G  75
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.60A25.17
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.31A21.05
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.
2IEO_A_017A402_1
(PROTEASE)		Darunavir6 / 12
ARG V  78
LEU V  75
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.67A25.17
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.
2R5P_B_MK1B902_1
(PROTEASE)		Indinavir5 / 12
ARG D  78
ASP D  29
GLY D  34
GLY D  35
VAL D 108
1.03A23.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASP I  91
ASN G  85
PHE G  89
1.33A17.15
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.65A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QWU_A_ADNA501_1
(DNA LIGASE)		Adenosine5 / 12
ILE J  55
ASN J  85
VAL J 108
VAL J  97
LYS J  95
1.63A15.99
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.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate6 / 9
LEU G  31
VAL G  13
GLY G 109
LEU G 112
PHE D  19
ILE G  81
1.66A7.67
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU U 112
GLY U 109
VAL U 108
TYR U  76
ASN U  10
1.58A18.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 10
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.29A25.17
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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		Saquinavir3 / 3
ARG Q  78
THR R  58
VAL X  21
1.67A22.67
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.29A23.08
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 12
ALA N 104
ASN N  40
GLU N  66
LEU I  45
THR N 101
1.36A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN C  85
GLY C  70
ILE C  99
SER C  67
TRP C 123
1.55A23.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
GLY V 109
VAL V  97
1.69A15.75
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.
6B68_C_9F2C302_1
(BETA-LACTAMASE)		Ceftriaxone5 / 10
ARG I  78
PRO J  59
THR M  49
THR J  47
ASP E  29
1.72A22.59
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.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		S-Adenosylmethionine5 / 12
GLY D  52
GLU D  60
PHE D  68
PRO D 107
ARG D 113
1.35A13.88
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA W  26
LEU W 112
LEU W  75
LEU W  92
PHE N  19
1.68A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir5 / 10
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.27A21.62
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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Progesterone5 / 11
LEU H  75
TYR H  76
VAL H 108
ILE H  38
HIS B  80
1.53A18.21
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.
3CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.57A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNP_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 11
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.38A25.17
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.
6INE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY C 125
ASN C 114
GLN C  65
CYH C 103
ILE C  99
1.77A18.87
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.
6AWN_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Paroxetine5 / 11
ALA U 104
GLY U  69
PHE U  68
THR U  39
VAL U  97
1.36A15.42
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.55A16.90
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.
6GNE_B_ACRB602_2
(-)		Acarbose4 / 8
VAL U 108
TYR U  27
ASN U 105
GLU U  66
1.77A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKW_B_017B401_1
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.28A25.00
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.
6C71_B_NCTB501_1
(AMINE OXIDASE)		Nicotine4 / 8
LEU U 112
TYR U  27
THR U 111
ASN U  10
1.49A14.62
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.
4RJD_B_TFPB204_1
(CALMODULIN)		Trifluoperazine4 / 8
LEU I  45
GLU M  66
GLU I  66
ALA I 104
1.17A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.55A21.50
21.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE W  38
TYR W  27
HIS W  83
TYR W  76
ARG W  78
1.56A18.00
None
None
ZN  W 998 (-2.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
ARG H  78
ALA H  26
ASP H  29
GLY H  35
VAL H 108
1.51A23.08
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.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY N  52
GLY N  50
ALA N  54
ASP N  64
THR N  47
1.59A20.00
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		Atazanavir6 / 12
ARG V  78
LEU V  75
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.59A22.30
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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 8
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A23.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5INZ_D_DVAD15_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		L-Valine3 / 3
GLY B 121
CYH B 117
CYH B 128
1.15A9.77
None
ZN  B 999 (-2.4A)
ZN  B 999 (-2.7A)
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
ILE H  55
LYS H  89
ALA H  71
VAL H  97
1.70A13.15
None
ZN  H 998 ( 3.9A)
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.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
LEU R  92
ASP R  91
TRP R 123
ILE R  55
1.21A23.38
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.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.60A21.50
21.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CB4_A_BEZA501_0
(CANAVALIN)		Benzoic Acid4 / 8
LEU H 112
VAL H  97
LEU H  92
ILE H  55
1.28A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol6 / 12
PRO B   8
VAL A  57
LEU H 112
PRO A  59
TYR H  27
LEU H  14
1.63A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine4 / 8
GLY M  70
VAL M  97
GLU M  66
SER M  72
1.34A23.00
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO O  23
LEU O  75
ARG O  78
1.15A16.76
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine5 / 8
ALA Q  18
SER Q  15
ALA Q  20
SER U  11
ALA Q  26
1.44A17.14
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.54A16.90
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS N  80
SER T  15
SER W  15
PHE W  19
1.60A15.43
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Nicotinamide4 / 7
PHE Q 110
ARG Q 113
ALA Q 104
ASP Q 106
1.69A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LBC_A_CYZA330_1
(GLUTAMINE RECEPTOR 2)		Cyclothiazide5 / 12
PRO I 107
LEU I  75
LEU I  92
ILE I  38
SER I  72
1.51A18.73
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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		Benzoic Acid5 / 12
THR B 111
TRP B 123
THR B 115
ALA B  54
LEU B  92
1.46A17.60
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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		Saquinavir5 / 12
GLY M 121
ALA M  54
VAL M  97
ILE M  99
ILE M  55
1.26A24.48
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine4 / 5
ASN M 114
PRO M 100
ASP I  64
ASP M 106
1.53A16.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		Chloramphenicol4 / 5
PRO W  37
PRO W 107
GLY W 109
TYR W  27
1.71A21.51
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		Adenosine5 / 12
LEU X  75
VAL X 108
GLY X  70
ALA X  71
ILE X  38
1.43A18.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
ALA K  20
GLU G  60
ALA H   9
HIS G  48
GLY G  50
1.50A17.95
None
Potential target for repurposing, i.e. matched protein structure has less than 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 F  17
LEU F  75
HIS F  80
LEU F  14
1.53A13.04
15.69
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.
4YPE_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 11
GLY F  88
ASP F  82
ASN F  85
TYR F  76
LYS F  93
1.79A19.64
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		Glucosamine4 / 7
GLU M  60
THR M  49
GLY M  50
THR J  47
1.32A19.76
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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.34A25.17
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.
2O4P_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.41A21.62
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.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 7
GLY G  35
ASP G 106
TYR G  27
THR G  39
1.08A18.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_A_SAMA401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
GLY B  94
LYS B  95
LEU B  75
GLY B 109
LEU B 112
1.50A19.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
SER B  11
SER H  15
PHE H  16
ASP H  29
1.57A15.43
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA N 104
GLU N  66
LEU M  45
LEU I  45
THR N 101
1.66A20.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		Acarbose5 / 12
GLU I  66
GLY M  50
HIS I  48
GLU M  60
PRO M 107
1.63A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ASP J  29
SER D  11
PHE J  16
ASP J  22
1.47A18.01
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.
2NMY_A_ROCA401_3
(PROTEASE)		Saquinavir3 / 3
ASP Q  22
GLY V  50
THR V  47
1.00A25.17
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY C  70
GLY D  94
SER C  72
LEU D  92
ASP D  91
1.30A19.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYN_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE M  68
ALA M 104
THR M 111
VAL M 116
LEU M  92
1.52A18.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A5 / 12
THR I 102
ALA M 104
THR M  49
LEU J  45
LEU N  45
1.40A18.87
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
HIS N  80
SER T  15
SER W  15
PHE W  19
1.60A18.01
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		S-Adenosylmethionine5 / 12
ILE W  55
GLY W  94
GLY W  70
ALA X  71
PHE W  89
1.41A18.69
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
ASP Q  91
LEU Q  92
GLN Q  98
0.85A15.28
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.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY P  70
GLY P  69
VAL O  42
GLN P  98
PRO P  59
1.60A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YPA_A_SAMA3004_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY C 125
ASN C 114
GLN C  65
CYH C 103
ILE C  99
1.61A19.64
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone3 / 3
GLY H  70
VAL G  42
MET H  44
0.91A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_1
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine3 / 3
ASP I  64
THR M  49
GLU I  66
1.09A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		Hydroxyamphetamine4 / 5
LEU R  92
ASP R  91
ILE R  99
ILE R  55
1.25A18.28
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.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
LYS A  93
TYR A  76
ILE A  81
ASP F  82
1.12A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 5
GLN I  65
TRP I 123
PRO I 100
THR I 118
1.77A18.43
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.
2NNK_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
ARG V  78
LEU V  75
ASP V  29
GLY V  35
VAL V 108
1.36A25.17
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR J 101
THR J 102
THR N  12
ASN N  40
1.42A16.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
GLY S  52
GLN S  53
VAL S  57
CYH S  46
THR S  47
1.61A19.17
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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.40A25.17
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.
3TBG_A_RTZA2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 11
THR I  49
LEU M  45
THR M  47
SER I  67
VAL J  42
1.48A14.59
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
GLY B  69
THR B  56
ILE B  55
LEU B  92
THR B 111
1.60A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.26A25.17
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.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
LEU E 112
CYH E  90
CYH E  77
LEU E  92
1.41A15.69
13.04
None
ZN  E 998 (-2.6A)
ZN  E 998 (-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.
1WOP_A_FFOA2887_1
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin3 / 3
ASP M  29
GLU P  60
ARG O  78
1.07A18.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		Apixaban5 / 12
PHE I  68
CYH I  77
GLY I  70
CYH I  90
GLY I  94
1.69A21.52
None
ZN  I 998 (-2.3A)
None
ZN  I 998 (-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.
6GNG_A_QPSA601_2
(-)		Acarbose5 / 12
GLU N  66
PRO J  37
GLU I  60
PRO I  59
GLY I  50
1.60A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid3 / 3
ARG V  78
LEU V  14
PHE V  16
0.73A18.77
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
ALA U  24
LYS U  28
GLY W 121
CYH W 120
THR W  51
1.69A16.91
None
None
None
ZN  W 999 (-2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA X  18
GLN X  36
PHE U  19
THR X  39
TYR X  30
1.68A18.41
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 7
GLY G  35
ALA G   9
ASN G 105
ASP G 106
1.18A17.75
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.
4QVN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.58A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_G_SAMG301_1
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine4 / 4
ASP I  64
HIS M  48
SER M  67
GLU M  66
1.61A18.41
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.
1TKQ_A_DVAA6_0
(MINI-GRAMICIDIN A)		L-Valine3 / 3
ALA P  61
VAL P  97
TRP P 123
1.31A5.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine3 / 3
VAL D  97
PHE D 110
ARG D 113
1.51A14.62
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.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
PHE K  68
GLY K  69
GLN K  65
GLU K  60
THR K  56
1.74A17.83
13.65
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		L-Histidine4 / 6
ARG U 113
GLY U 109
PRO U  37
THR U  39
1.76A11.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		S-Adenosylmethionine4 / 7
ALA H  61
GLY H  50
GLY H 121
ASN H  62
1.12A22.05
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.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		Indinavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.31A21.62
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin3 / 4
SER E  72
GLY F  69
GLU F  66
0.81A14.29
21.46
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		Icosapent5 / 8
LEU T  75
ILE T  81
ALA T  18
PHE W  19
PRO T  37
1.70A17.27
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.
3RLB_B_VIBB187_1
(THIT)		Thiamine5 / 12
ILE B  99
GLU B  66
HIS B  48
GLY B  50
ASN B  62
1.51A20.43
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		Nelfinavir5 / 11
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.33A21.62
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		Darunavir4 / 8
GLY T  70
ALA T  71
GLY S  94
THR S  58
0.97A23.45
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		S-Adenosylmethionine5 / 12
GLY V  70
GLY V  69
VAL V  97
TYR V  76
GLY V 109
1.45A16.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
SER E  72
VAL F  42
THR F  58
THR F  56
1.33A20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine4 / 5
GLN S  98
ASP W  22
ASP W  29
THR S  51
1.75A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 9
ARG V  78
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.58A22.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.32A22.30
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
THR P 101
GLN P  65
ALA P  61
HIS P  48
1.12A19.08
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.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		Fusidic Acid4 / 9
ILE T  99
ALA T  54
VAL T  97
CYH T  73
1.52A13.15
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.
6H7M_A_68HA504_0
(BETA-1 ADRENERGIC
RECEPTOR)		Salbutamol5 / 12
THR N  58
ASP R  22
VAL R  21
SER M  11
PHE R  16
1.70A17.15
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 7
GLY H  70
GLY H  69
MET H  44
TYR H  96
1.24A21.43
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.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
ALA U  24
LYS U  28
GLY W 121
CYH W 120
THR W  51
1.69A16.91
None
None
None
ZN  W 999 (-2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP Q  82
HIS U  80
ALA Q  18
SER U  11
PHE X  19
1.70A16.28
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.
5KR2_A_ROCA101_2
(PROTEASE PR5-SQV)		Saquinavir5 / 11
ASN L  10
ALA L   9
PRO L 107
VAL L 108
ILE L  38
1.44A25.17
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Edetic Acid4 / 6
ASN I 105
ARG I 113
ILE I  99
GLU I  66
1.53A15.21
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 12
ILE H  38
LEU H  14
LEU H  75
TYR H  76
ILE H  81
1.44A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_C_BEZC264_0
(ECHA1_1)		Benzoic Acid4 / 5
ALA M 104
GLU I  66
GLU M  66
ALA I 104
1.57A20.25
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.
4FEW_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin5 / 12
GLN T  53
ASP P  29
ASN S  40
ASP P  22
HIS T  48
1.68A17.29
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP N 106
ASN N 105
THR J 101
0.94A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O76_A_CAMA1420_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.59A16.23
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.
5ZGB_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
GLY D 127
TRP D 123
ILE D  99
GLY D  52
ALA C  71
1.56A11.48
9.87
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.
2R5Q_B_1UNB900_1
(PROTEASE)		Nelfinavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.40A23.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1R_A_LZUA801_1
(MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1)		Thioridazine5 / 12
LEU B 112
VAL B 108
ALA B  24
LEU B  31
LEU B  14
1.02A17.21
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.
1EIZ_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA K  71
GLY L  69
GLY K  94
LEU L  92
PHE L  68
1.22A21.08
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.
2Q83_B_ADNB2_1
(YTAA PROTEIN)		Adenosine4 / 6
ILE F  99
CYH F  41
LEU F  75
ILE F  38
1.47A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac4 / 7
LEU N  14
ALA N  18
SER T  15
SER W  15
1.34A23.53
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		Propofol3 / 3
PHE V  68
LEU V  92
SER V  72
1.52A13.15
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.
3EL0_A_1UNA201_1
(PROTEASE)		Nelfinavir4 / 8
GLY P  70
ALA P  71
THR O  58
PRO O  59
1.09A22.38
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		Diflunisal5 / 10
LEU M  14
PHE R  19
LEU M  75
ILE M  81
ALA M  20
1.29A13.15
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		Phenylacetic acid4 / 8
PHE B  19
PHE K  19
ALA B  18
ILE B  81
1.38A17.84
14.69
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.
3PWR_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
ARG G  78
LEU G  75
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.61A25.17
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.
3UPR_A_1KXA277_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
PEP-V)		Abacavir4 / 4
ILE E  81
TYR E  76
LEU E  75
VAL E 108
1.28A5.26
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.58A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.36A19.91
19.30
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.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY N  52
GLY N  50
ALA N  54
ASP N  64
THR N  47
1.60A20.00
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.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)		Methotrexate5 / 12
PRO V  23
ASP V 106
LEU V 112
TYR V  27
LEU V  92
1.32A20.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_A_DAHA2_1
(RANASMURFIN)		Levodopa5 / 9
ALA V  26
SER V  11
PHE S  19
ALA V  18
CYH V  79
1.57A20.00
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.
4QGI_A_ROCA101_2
(PROTEASE)		Saquinavir5 / 11
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A21.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU H  66
PHE H  68
HIS G  48
VAL K  21
1.34A17.14
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS N  80
SER T  15
SER W  15
PHE W  19
1.60A18.01
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 6
LEU L  75
ALA L   9
THR L  39
LEU L  31
1.33A13.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_1
(PROTEASE)		Saquinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.23A23.33
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA W  26
LEU W 112
LEU W  75
LEU W  92
PHE N  19
1.68A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		Glycine4 / 8
GLY I  52
THR I  51
GLU I  60
THR I  56
1.07A16.56
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		Lopinavir5 / 12
GLY B  70
ALA B  71
GLY A  70
GLY A  69
VAL H  21
1.14A25.17
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLN V  65
THR V  49
ASN V  62
0.82A15.27
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.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
PHE R  89
ASN X  85
HIS X  83
PHE X  89
CYH X  90
1.76A18.82
None
None
ZN  X 998 (-2.5A)
None
ZN  X 998 (-2.9A)
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.
2FXE_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 12
ARG V  78
ASP V  29
GLY V  34
GLY V  35
VAL V 108
1.31A21.33
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
GLN V  98
TYR U  96
GLY V  94
ILE V  55
ASP V  91
1.14A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)		Atazanavir4 / 8
ASP D  91
GLY D  70
PRO D  59
THR D  58
1.13A22.67
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.
4HXY_B_ACAB502_1
(PLM1)		Aminocaproic Acid4 / 7
VAL O  42
SER P  67
MET O  44
LEU P  45
1.63A16.11
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.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 9
PHE I  68
ILE I  99
THR I 102
ALA M 104
THR M 102
1.60A14.88
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
GLY V 121
GLY V  50
CYH V  46
ASN V  62
ALA V  61
1.17A21.12
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.55A21.50
19.10
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.
5Z84_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.79A13.65
20.35
17.83
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.
3EM6_A_017A200_2
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.34A22.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		S-Adenosylmethionine3 / 3
ASP U 106
PHE U  68
ASN U 114
1.44A19.37
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.
2AOJ_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU C  92
ASP C  91
GLY C 121
VAL C  97
0.96A25.17
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
ARG D  78
ASP D  29
GLY D  34
GLY D  35
VAL D 108
1.05A25.17
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
GLU M  60
THR M  49
HIS I  48
LEU N  45
1.49A16.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T86_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.60A16.01
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		Aripiprazole5 / 12
CYH P 128
LYS P  28
LEU P  75
GLY P 121
CYH P 120
1.45A13.15
 ZN  P 999 (-2.4A)
None
None
None
ZN  P 999 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		Varenicline4 / 8
TYR U  76
CYH U  77
CYH U  74
ILE U  55
1.17A18.14
None
ZN  U 998 (-2.5A)
ZN  U 998 (-2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide5 / 11
SER U  15
ALA U  18
LEU X  75
SER X  11
LEU X  14
1.35A18.29
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.
5D0X_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.56A21.50
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.
3EL4_A_ROCA100_2
(PROTEASE)		Saquinavir5 / 9
ASP O  29
ALA O  26
VAL O  13
ILE O  38
GLY O 109
1.77A22.67
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU N  45
LEU J  45
SER M  67
THR M  49
1.41A16.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		L-Valine3 / 3
ALA Q  61
VAL Q  97
TRP Q 123
1.32A6.04
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		Creatine4 / 6
THR J 111
VAL J 108
CYH J  41
SER J  72
1.63A17.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.28A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		Raloxifene3 / 3
ASP D  91
LEU D  92
HIS G  80
1.50A21.37
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.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		Camphor6 / 11
TYR V  76
LEU V 112
VAL V 108
GLY V 109
ASP V  91
VAL V  97
1.63A16.23
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
PHE U  19
HIS U  80
ILE Q  81
VAL X  21
ILE X  81
1.59A20.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H6T_A_CYZA265_1
(GLUTAMATE RECEPTOR 2)		Cyclothiazide5 / 11
PRO I 107
LEU I  75
LEU I  92
ILE I  38
SER I  72
1.42A18.73
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP X  82
THR R  58
PRO R  59
0.97A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ALA I 104
GLN M  65
THR M 101
1.54A16.96
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA N 104
GLU N  66
LEU M  45
LEU I  45
THR N 101
1.67A20.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Dasatinib4 / 5
VAL M 108
HIS M  80
LEU M  92
CYH M  90
1.37A18.39
None
None
None
ZN  M 998 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.56A16.90
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU N  45
HIS I  48
THR I 101
ASP I  64
GLY I  50
1.75A15.37
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		S-Adenosylmethionine5 / 12
LYS I  43
GLY M  52
ILE M  55
ALA M  54
SER M  67
1.47A19.41
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		Carbocisteine5 / 10
GLU T  60
GLY T  52
ASN T  62
ALA T  61
HIS T  48
1.53A23.12
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 8
GLY E  70
CYH F  73
CYH F  90
PHE F  89
1.37A15.48
None
None
ZN  F 998 (-2.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_E_KANE301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin5 / 10
GLN T  53
ASP P  29
ASN S  40
ASP P  22
HIS T  48
1.75A17.29
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.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
6GNE_B_ACRB602_1
(-)		Acarbose5 / 12
GLY P  70
GLY P  69
VAL O  42
GLN P  98
PRO P  59
1.60A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
GLY I 125
THR I 115
VAL I 116
CYH I 128
VAL K 119
1.37A16.43
None
None
None
ZN  I 999 (-2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY C  69
GLY C  70
ILE C  55
SER C  67
THR C  56
1.54A18.90
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.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		S-Adenosylmethionine5 / 12
ALA K  71
GLY K  94
GLY K 109
ASP K  91
LEU K 112
1.45A15.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_1
(-)		Acarbose5 / 12
THR J 101
VAL J  97
THR N  39
PRO M  59
GLY J  52
1.69A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
PHE N  19
ALA T  18
LEU T  14
ALA W  18
1.35A18.22
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.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		Acetic acid4 / 7
GLN L  36
ALA L   9
VAL L  13
THR L  39
1.18A15.46
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
THR M 118
VAL M 119
VAL M  97
ILE M  55
GLN M  53
1.68A20.86
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
GLY E  69
THR F  49
PRO F  59
0.60A13.57
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.32A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.30A22.30
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
TYR X  96
GLY W  70
GLY X  69
ASP W  91
CYH W  90
1.73A19.26
None
None
None
None
ZN  W 998 (-2.7A)
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP X  82
THR R  58
PRO R  59
1.02A25.00
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.
4Z7F_C_FOLC201_0
(FOLATE ECF
TRANSPORTER)		Folic Acid5 / 12
ALA V  20
THR O  58
ASN V  85
LEU V 112
LYS V  89
1.51A16.58
None
None
None
None
ZN  V 998 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_L_ASDL1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
PHE N  19
ALA T  18
LEU T  14
ALA W  18
1.35A18.22
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
4YPE_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY C 125
ASN C 114
GLN C  65
CYH C 103
ILE C  99
1.59A19.64
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin4 / 8
THR U 111
LEU U  92
SER U  72
ASN U 105
1.40A19.08
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		Isoprenaline5 / 12
THR N  58
ASP R  22
VAL R  21
SER M  11
PHE R  16
1.72A17.15
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		Benzoic Acid5 / 12
GLY H  50
THR H  51
THR H  47
GLU H  60
LYS D  25
1.72A12.64
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.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		S-Adenosylmethionine5 / 12
SER Q  72
GLY Q  94
GLY Q  70
GLY Q  69
ASP O  82
1.42A17.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY P  34
GLY P  35
SER P  33
PHE P  16
TYR P  27
1.31A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
PHE K  68
GLY K  69
GLN K  65
GLU K  60
THR K  56
1.77A17.83
13.65
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		Ketoconazole5 / 12
THR J  51
VAL T  21
ASN N  40
ALA N   9
ASN J  62
1.76A15.59
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.
3G2O_B_SAMB600_0
(PCZA361.24)		S-Adenosylmethionine5 / 12
GLU M  60
ALA M  61
ASP M  64
SER M  67
GLU M  66
1.27A19.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 10
LEU E  75
ALA E  26
GLY E 109
LEU E  31
GLY E  35
1.44A20.06
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin3 / 3
LEU S  14
PHE P  19
ARG V  78
1.02A19.26
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.
3EKY_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 10
ARG V  78
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.46A22.30
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.
4G19_D_ACTD305_0
(GLUTATHIONE
TRANSFERASE GTE1)		Acetic acid4 / 4
ILE J  38
LEU J  14
LYS J   9
ASN J  40
1.04A19.56
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.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		S-Adenosylmethionine5 / 12
CYH N  46
PRO N 100
THR N 101
ASN N  62
THR I  49
1.57A15.69
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		S-Adenosylmethionine5 / 12
CYH C  41
THR C  56
PHE C  68
VAL D  42
ALA C  71
1.70A18.01
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.
3TKG_C_ROCC901_2
(PROTEASE)		Saquinavir6 / 12
ARG G  78
LEU G  75
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.62A25.00
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		Vitamin A5 / 12
LEU Q  92
LEU Q 112
ALA Q  26
ALA Q  20
ALA Q  24
1.43A19.59
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.
3UCB_A_017A201_2
(PROTEASE)		Darunavir5 / 12
GLY U  52
ILE U  55
VAL U 116
GLY U 121
VAL U  57
1.30A23.27
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin6 / 12
GLY X 121
ALA X  54
GLY X  52
THR X 101
PHE X 110
GLY X 127
1.78A16.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_2
(PROTEASE)		Darunavir5 / 11
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.31A21.62
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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		Camphor4 / 6
TYR S  76
LEU S 112
VAL S 108
ASP S  91
1.52A16.23
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A25.17
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.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		Acetazolamide4 / 8
ASP X  82
PRO X  84
ARG Q  78
HIS Q  80
1.33A21.01
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.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		Cholic Acid5 / 11
PHE K  68
GLY K  69
GLN K  65
GLU K  60
THR K  56
1.78A17.83
13.65
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA811_0
(GEPHYRIN)		Acetic acid3 / 3
LEU O  75
LEU O  14
ARG O  78
1.47A18.00
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
5VEU_A_RITA602_2
(CYTOCHROME P450 3A5)		Ritonavir3 / 3
ARG H 113
PHE H  16
LEU H  75
0.95A14.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
PHE K  68
GLY K  69
GLN K  65
GLU K  60
THR K  56
1.80A17.83
13.65
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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 W 111
PRO W 100
ASN W 114
GLY W 125
GLY W 109
1.73A12.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU E  75
ALA E  26
GLY E 109
LEU E  31
GLY E  35
1.46A20.06
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG G  78
THR H  58
VAL D  21
1.54A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin4 / 7
VAL U  97
LEU U  92
LEU U  75
ALA U  24
1.12A19.37
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.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLY T  70
ILE T  55
TRP T 123
GLN T  65
1.33A23.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER W  15
HIS N  80
ASP T  22
1.20A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Nitrofural4 / 8
TYR Q  96
PHE Q  68
GLU Q  60
THR Q  49
1.35A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C49_A_ADNA1301_1
(SUGAR KINASE MJ0406)		Adenosine5 / 12
GLY G  69
GLY G  70
THR G 111
ASP G  91
CYH G  41
1.40A18.48
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.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
VAL V 108
CYH V  74
CYH V  77
LEU V  92
1.64A15.69
13.04
None
ZN  V 998 (-2.1A)
ZN  V 998 (-2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
ARG G  78
LEU G  75
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.65A25.17
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		Adenosine4 / 7
HIS V  48
GLY V  52
GLY V  50
ASN V  62
1.26A18.48
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.
3NHX_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 12
TYR E  76
LEU E  75
VAL E  13
ALA E  20
PHE E  16
1.49A20.51
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.
2O4L_A_TPVA403_2
(PROTEASE)		Tipranavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.34A21.62
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.
3EKP_C_478C200_2
(PROTEASE)		Amprenavir5 / 10
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.31A22.38
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		Nabumetone4 / 7
ASP M  64
ASN I 105
ALA I 104
GLU M  66
1.58A13.56
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
THR X  49
MET X  63
HIS X  48
1.28A20.00
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		S-Adenosylmethionine3 / 3
SER E  72
THR E  56
GLN E  98
0.98A17.96
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A22.67
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.
2IEN_B_017B402_1
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A25.17
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 10
VAL T 116
PHE T 110
SER T  67
ASN T  62
GLY T 127
1.79A9.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 11
ALA N 104
ASN N  40
GLU N  66
LEU I  45
THR N 101
1.56A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_2
(PROTEASE)		Saquinavir6 / 12
ARG G  78
LEU G  75
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.62A25.00
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.
6HWD_K_BO2K301_0
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.37A19.91
19.30
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.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
ILE C  38
GLY C 109
LEU C 112
VAL C 116
ILE C  55
1.48A22.86
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 7
HIS D  48
CYH D  46
GLY D  50
ASN D  62
1.18A19.75
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.24A21.05
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.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor5 / 8
TYR V  76
LEU V 112
VAL V 108
GLY V 109
VAL V  97
1.70A15.75
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.
3ILT_B_TRUB800_1
(GLUTAMATE RECEPTOR 2)		Trichlormethiazide5 / 12
PRO I 107
LEU I  75
LEU I  92
ILE I  38
SER I  72
1.38A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
LEU E 112
CYH E  90
CYH E  77
LEU E  92
1.44A15.69
13.04
None
ZN  E 998 (-2.6A)
ZN  E 998 (-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.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine5 / 12
ALA V  32
GLY V  35
GLY V  34
LEU V  75
ALA V  26
1.32A13.51
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.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER H  72
GLU H  66
ASP H  64
1.39A17.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5V_C_ACTC510_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
THR I 101
ASP I  64
LYS M  43
GLU M  66
1.63A15.27
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
LEU J  45
THR M  49
HIS I  48
LEU N  45
1.22A13.93
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.34A22.60
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.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 5
GLY I  52
THR I  51
GLY M  50
LEU N  45
1.11A14.08
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		Spermine4 / 5
ALA A  26
TYR A  30
ALA A  18
TYR A  27
1.54A17.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.56A16.90
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
VAL X  13
ALA X  26
LEU X 112
LEU X  75
GLY X 109
ASP X 106
1.69A18.49
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.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.55A21.50
19.10
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		Piracetam4 / 8
ILE G  81
SER G  15
SER J  15
SER D  15
1.21A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		Cholecalciferol3 / 3
MET E  44
VAL E  97
GLU E  66
0.87A14.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNP_A_ROCA401_2
(PROTEASE)		Saquinavir5 / 11
ARG G  78
LEU G  75
ALA G  26
GLY G  35
VAL G 108
1.41A25.17
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.
1EJ0_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA K  71
GLY L  69
GLY K  94
LEU L  92
PHE L  68
1.25A21.08
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.
3NU9_A_478A401_2
(PROTEASE)		Amprenavir5 / 10
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.36A25.17
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.
2O4L_A_TPVA403_1
(PROTEASE)		Tipranavir6 / 12
ARG V  78
LEU V  75
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.66A21.62
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.
4HLA_A_017A200_1
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.35A21.62
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
TYR B  27
GLY B 109
LEU B  14
ARG B  78
1.15A20.86
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.
6BOC_C_RIMC101_0
(MATRIX PROTEIN 2)		Rimantadine4 / 6
SER T  15
SER W  15
ALA N  18
ALA T  18
1.27A11.19
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.57A21.50
19.10
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine4 / 7
GLY I  50
GLY I  52
ASN N  62
THR N  49
1.24A14.83
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		Tipranavir5 / 12
ARG H  78
LEU H  75
ALA H  26
GLY H  35
VAL H 108
1.47A25.17
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 11
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.28A23.08
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU C  92
ASP C  91
ASN J  85
GLY C 121
VAL C  97
ILE C  55
1.68A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EUP_A_ASDA451_1
(CYTOCHROME P450ERYF)		4-Androstenedione5 / 8
ASN B  10
THR B  39
VAL B  13
ALA B  24
LEU B 112
1.76A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		Adenosine5 / 12
CYH I  90
LEU I  14
GLY I  69
GLY I  70
GLY J  94
1.26A19.68
 ZN  I 998 (-2.3A)
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.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH F  90
CYH F  77
HIS F  83
1.23A17.14
 ZN  F 998 (-2.8A)
ZN  F 998 (-2.5A)
ZN  F 998 (-2.7A)
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.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.36A19.91
19.30
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
THR M  39
ASP I  64
GLU M  66
1.08A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.79A13.65
20.35
17.83
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.
4HWK_A_SFYA807_0
(SEPIAPTERIN
REDUCTASE)		Sulfapyridine5 / 11
PHE N  68
PRO N 100
MET N  63
GLN N  65
ALA N  61
1.80A17.81
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor5 / 7
TYR V  76
LEU V 112
VAL V 108
GLY V 109
ASP V  91
1.72A16.01
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.
5B3S_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.78A13.65
20.35
17.83
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.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 10
CYH D  41
LEU D  92
THR D 111
THR D  39
ILE D  38
1.56A19.87
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA X  18
GLN X  36
PHE U  19
THR X  39
TYR X  30
1.66A18.41
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.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Bimatoprost5 / 12
TYR M  27
LEU M  92
SER M  72
ASN M 114
TYR M 126
1.48A19.11
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 6
THR I 101
GLU M  66
THR I 102
THR M  39
1.33A16.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY D 109
ALA D  24
ALA D  26
ALA D  20
SER G  11
1.37A22.17
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		L-Valine3 / 3
ALA Q  61
VAL Q  97
TRP Q 123
1.69A4.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		Perampanel4 / 7
PRO N 100
TYR N 126
PHE N  68
ASN N 105
1.30A10.86
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_A_MIYA2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
ARG G  78
PHE G  68
GLY G  69
GLY G 109
ASN G 105
1.67A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 6
GLU H  66
PHE H  68
HIS G  48
VAL K  21
1.39A17.14
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		Glycine4 / 8
TYR X  27
ARG X 113
GLY X 109
PRO X 107
0.89A17.53
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA E  18
LEU E  14
HIS E  83
LEU E 112
ALA E  26
1.40A23.67
None
None
ZN  E 998 (-3.1A)
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.
2O4P_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 11
ARG I  78
ALA I  26
ASP I  29
GLY I  35
VAL I 108
1.49A21.62
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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
THR I 102
TYR M 126
ASP M 106
THR I 101
1.49A17.30
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE X  19
ILE X  81
ASP X  22
1.10A17.19
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH F  90
CYH F  77
HIS F  83
1.21A17.14
 ZN  F 998 (-2.8A)
ZN  F 998 (-2.5A)
ZN  F 998 (-2.7A)
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.
5FLC_C_RAPC999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		Sirolimus4 / 8
GLU O  60
SER O  67
PHE O  68
GLY O  69
1.08A8.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		Acetic acid5 / 8
TYR I  96
GLY I  94
GLY I  70
GLY I  69
LEU I  92
1.57A18.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_D_ERMD1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine5 / 12
VAL X 108
ASN X  10
VAL U  21
LEU X  14
VAL X  13
1.36A15.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		Chloramphenicol5 / 12
PHE D 110
PRO D 107
CYH D  73
ARG D 113
ALA D  24
1.43A18.67
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		S-Adenosylmethionine4 / 8
SER B  11
SER H  15
PHE H  16
ASP H  29
1.53A16.86
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.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN M  10
VAL R  21
ILE M  99
SER M  67
GLN M  98
1.43A20.45
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 11
LEU W  92
ASP W  91
GLY W 121
VAL W  97
ILE W  55
1.44A22.45
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.
3MNP_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone4 / 6
MET A  44
LEU B  45
MET B  63
TYR B  96
1.69A19.17
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.
2BPX_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir5 / 8
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.35A21.62
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.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine4 / 7
GLN K  53
GLY K  50
GLY K  52
THR K  58
1.18A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P33_D_MTXD354_1
(PTERIDINE REDUCTASE
1)		Methotrexate5 / 12
PRO V  23
ASP V 106
LEU V 112
TYR V  27
LEU V  92
1.46A20.21
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine3 / 3
SER F  67
GLY F  52
GLY F  50
1.04A22.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		Suvorexant4 / 5
PRO N   8
HIS N  80
TYR N  27
VAL N 108
1.79A13.58
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.
5L66_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.55A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		Aripiprazole4 / 5
ASN B 105
TYR B  27
VAL B  13
LEU B  14
1.27A13.15
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		Acetaminophen5 / 7
SER W  67
THR W  47
GLY W  50
GLY W  52
ALA W  61
1.29A13.51
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
TYR S  76
LEU S 112
VAL S 108
ASP S  91
1.47A16.01
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.
4QVV_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib4 / 8
THR T  56
GLY T  69
GLY T  70
ASP T  91
0.86A19.91
19.30
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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		Chlorpromazine4 / 5
LEU X  92
GLY X  70
ILE X  99
GLN X  98
1.60A18.06
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
ASP G 106
GLY G  34
GLY G  35
SER G  33
PHE G  16
1.52A13.68
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.35A22.30
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.
3C9J_B_308B101_1
(PROTON CHANNEL
PROTEIN M2,
TRANSMEMBRANE
SEGMENT)		Amantadine4 / 6
SER T  15
SER W  15
ALA W  18
SER W  11
1.35A10.53
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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		Raltegravir4 / 8
ASP J  64
GLN J  65
PRO J 100
GLN N  36
1.44A16.54
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.
4GKH_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin5 / 11
GLN T  53
ASP P  29
ASN S  40
ASP P  22
HIS T  48
1.78A17.29
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.
4L4B_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.61A16.01
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 8
PHE F  68
ILE F  99
TRP F 123
GLY F 109
TYR F  76
1.79A18.33
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		Phenylacetic acid4 / 7
PHE B  19
PHE K  19
ALA B  18
ILE B  81
1.44A17.84
14.90
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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		Acetic acid4 / 5
LEU M  92
GLY M  70
ILE M  55
PHE M 110
1.49A9.08
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Clarithromycin4 / 5
PRO T 107
HIS S  48
LEU T  45
TYR S  96
1.74A18.64
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
GLY P  34
GLY P  35
SER P  33
PHE P  16
TYR P  27
1.30A13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		Ethopropazine4 / 8
GLY C  35
GLN C  36
SER C  33
PHE C  16
1.39A14.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
HIS J  48
THR J  47
THR M  49
ASN J  62
GLY J  50
1.79A16.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Cytisine4 / 8
VAL N 108
TYR N  76
CYH N  90
CYH N  77
1.69A20.45
None
None
ZN  N 998 (-2.4A)
ZN  N 998 (-2.2A)
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.
4YNM_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY Q 125
ASN Q 114
GLN Q  65
CYH Q 103
ILE Q  99
1.69A19.64
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
GLY S  52
GLN S  53
VAL S  57
CYH S  46
THR S  47
1.60A19.17
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 7
GLY O  50
THR O  51
GLN O  65
PHE O  68
1.38A21.43
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.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLY E  50
THR E  49
ASN E  62
0.94A15.27
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.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone3 / 3
VAL I 116
VAL I 119
ASP G  22
1.02A18.79
None
ZN  I 999 ( 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.
4EK1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.63A16.27
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.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		Epinephrine4 / 6
HIS J  48
ASN N  40
ILE N  38
THR J 101
1.60A19.23
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.
5ZCQ_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.76A13.65
20.35
17.83
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
ALA H  26
GLU A  60
TYR H  27
GLY H 109
LEU H 112
1.61A9.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		S-Adenosylmethionine5 / 12
GLY L  70
ARG L  78
ILE L  55
ALA L  54
ASP L  91
1.69A18.69
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.
6CEN_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3)		S-Adenosylmethionine5 / 11
ARG O  78
TYR O  30
CYH O  74
CYH O  77
LEU O  75
1.74A20.25
None
None
ZN  O 998 (-2.0A)
ZN  O 998 (-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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.27A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY Q  50
GLY Q  52
ALA Q  61
HIS Q  48
1.31A14.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		S-Adenosylmethionine5 / 12
CYH S  90
PRO S  84
ILE S  81
ASP P  82
ASP S  91
1.38A15.70
 ZN  S 998 (-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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid4 / 5
PRO B  59
GLY B  52
ASN B  62
GLY B  50
1.77A14.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine5 / 12
VAL X  13
SER X  15
PHE X  16
HIS X  83
LEU X 112
1.54A15.53
None
None
None
ZN  X 998 (-2.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.59A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime3 / 3
CYH X  77
PRO X  84
ASP X  91
1.37A20.00
 ZN  X 998 (-2.6A)
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Isoprenaline5 / 12
THR N  58
ASP R  22
VAL R  21
SER M  11
PHE R  16
1.59A19.05
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLN G  53
GLY G 127
ILE G  99
VAL G 116
GLY G 125
PRO G 100
1.55A18.29
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.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER H  72
GLU H  66
ASP H  64
1.38A17.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.36A19.91
19.30
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY N  70
PHE N  68
SER N  67
VAL N 108
SER N  72
1.38A17.86
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
ARG E  78
ASP E 106
GLY E  34
GLY E  35
THR E  39
1.57A23.45
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.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine3 / 3
GLY I  94
GLY I  69
GLY I  70
0.74A22.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EZ7_A_DHIA301_0
(CARBONIC ANHYDRASE 2)		L-Histidine4 / 6
ASN H  62
GLN H  65
THR H  56
PRO H  59
1.41A19.23
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		Benzoic Acid4 / 8
ILE S  99
PHE S  68
SER S  72
CYH S  41
1.37A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.55A21.50
19.10
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
ARG G  78
PHE G  68
GLY G  69
GLY G 109
ASN G 105
1.66A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
ALA P   9
ILE V  81
LEU V  75
ALA V  26
ASP V  22
1.39A17.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKX_B_1UNB201_1
(PROTEASE)		Nelfinavir5 / 11
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.27A22.30
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.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
LEU N 112
VAL N 108
CYH N  73
CYH N  41
1.62A13.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		S-Adenosylmethionine3 / 3
THR M  49
GLU I  66
ASP I  64
1.06A18.86
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.
5BXN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.66A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_2
(PROTEASE)		Darunavir5 / 9
ARG G  78
ALA G  26
ASP G  29
GLY G  35
VAL G 108
1.46A23.08
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid4 / 6
MET L  63
PRO L 100
GLY L 127
MET L 122
1.71A16.76
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.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.56A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		Cholic Acid4 / 8
MET I  44
PRO J  59
SER J  67
GLY J  94
1.57A16.76
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.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
LYS K  89
ASP G  91
ASN K  85
1.69A21.12
 ZN  K 998 ( 3.9A)
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.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.36A19.91
19.30
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.
1G60_B_SAMB501_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		S-Adenosylmethionine5 / 12
ASN M  62
ASP I 106
ILE I  38
THR I 111
ASN I  40
1.52A21.37
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.
5G6S_H_RAUH400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
MET J  44
SER J  72
GLY I  94
MET I  44
TYR I  96
1.34A18.06
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
GLY B  94
LYS B  95
LEU B  75
GLY B 109
LEU B 112
1.50A19.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 8
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.61A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_1
(PROTEASE)		Darunavir6 / 12
ARG V  78
LEU V  75
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.65A25.17
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.57A21.50
19.10
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.29A25.17
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.
6DGX_A_017A101_0
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.28A23.08
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.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.55A16.90
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
PHE F  68
ILE F  99
TRP F 123
GLY F 109
TYR F  76
1.80A16.32
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.
4LUH_A_ACTA609_0
(SERUM ALBUMIN)		Acetic acid4 / 4
ALA F  18
HIS F  80
PHE C  19
LEU F  75
1.43A11.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.21A25.00
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
THR N  47
THR I  47
GLU N  66
SER N  67
1.42A8.86
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.
3EL4_A_ROCA100_1
(PROTEASE)		Saquinavir5 / 12
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.33A22.67
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.
3AQI_B_CHDB5_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO O  23
LEU O  75
ARG O  78
1.00A16.76
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.
6B6A_A_9F2A302_1
(BETA-LACTAMASE)		Ceftriaxone5 / 9
ARG I  78
PRO J  59
THR M  49
THR J  47
ASP E  29
1.77A22.59
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.
4K8T_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
GLY V  70
GLY V  69
SER V  67
LEU U  45
THR V  56
1.56A16.90
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
TYR X  96
GLY W  70
GLY X  69
ASP W  91
CYH W  90
1.72A19.26
None
None
None
None
ZN  W 998 (-2.7A)
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.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
VAL T 108
LEU T 112
VAL T  97
GLY T  69
SER T  72
1.38A13.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		Meropenem5 / 12
ALA S  61
SER S  67
ASN S  62
GLY S  50
THR S  51
1.62A22.26
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 6
THR S  56
THR S  47
HIS S  48
ASN T  40
1.65A16.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 11
HIS H  80
GLY H  70
GLY H  69
MET H  44
TYR H  96
1.25A21.43
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
LYS N   8
THR N  39
VAL T  21
ARG N  78
ILE N  38
1.57A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 12
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
3NDT_D_ROCD100_1
(PROTEASE)		Saquinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.24A23.33
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.36A19.91
19.30
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.
3WRH_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
TYR S  76
LEU S 112
VAL S 108
ASP S  91
1.46A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS N  80
SER T  15
SER W  15
PHE W  19
1.60A18.01
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.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
ILE J  99
HIS J  48
PHE J  68
LEU I  45
THR M  47
1.75A19.23
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		Acarbose4 / 7
ASN I 105
ASP M  64
THR I 111
GLY I 109
1.48A13.73
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.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE H  55
THR H  56
VAL H  97
ILE H  99
ASN H  62
1.54A23.26
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.
4LUF_A_ACTA605_0
(SERUM ALBUMIN)		Acetic acid4 / 4
ALA U  18
HIS U  80
PHE Q  19
LEU U  75
1.41A11.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
PHE K  68
GLY K  69
GLN K  65
GLU K  60
THR K  56
1.74A17.83
13.65
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		Estriol4 / 8
PHE X  19
ALA Q  20
HIS U  80
LEU U  14
1.55A15.42
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.21A25.17
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.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
SER X  15
CYH X  79
ILE X  81
SER Q  11
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		Chlorzoxazone4 / 5
PRO I 107
VAL I  97
MET M  63
GLU I  66
1.73A14.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 7
SER W  15
LEU N  14
ALA N  18
SER T  15
1.38A23.53
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.
6F8C_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone5 / 8
ALA N 104
LEU I  45
LEU M  45
THR M  47
PHE J  68
1.74A16.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
LEU B  31
ALA B   9
PRO B   8
VAL H  21
VAL B  13
1.52A20.12
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.
3EM3_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.27A22.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DSG_A_0HKA1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium5 / 12
ASP D  64
ALA D  54
TYR D 126
ASN D 114
CYH D 103
1.74A17.15
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.24A21.05
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		Acarbose4 / 8
ASN D  85
PHE D  89
HIS G  80
THR D 111
1.72A12.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D55_C_DVAC8_0
(ACTINOMYCIN D)		L-Valine3 / 3
PRO U 107
THR U  39
PRO U  37
1.37A9.28
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.
6DH6_A_017A104_0
(PROTEASE)		Darunavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.20A23.08
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.31A21.33
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.
6AGO_A_SAMA2301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 11
GLY G  52
ASP G  64
TYR G 126
CYH G 128
CYH G 117
1.79A18.11
None
None
None
ZN  G 999 (-2.4A)
ZN  G 999 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Doxycycline6 / 9
VAL B 108
LEU B  75
ALA B  24
ASP B  22
VAL B  13
ILE B  38
1.37A17.62
14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
THR H 111
GLY H  69
THR H  56
ILE H  55
1.38A19.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)		Zanamivir4 / 6
ASP E 106
ARG E 113
ILE E  38
ARG E  78
1.75A18.32
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		Glucosamine4 / 5
ASP N  91
HIS N  83
VAL N 108
GLY N  70
1.31A19.54
None
ZN  N 998 (-3.3A)
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.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN M  10
VAL R  21
ILE M  99
SER M  67
GLN M  98
1.42A20.00
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.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
TYR D  96
VAL C  42
VAL D  42
GLY C  69
1.13A22.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.29A22.30
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.
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 T  92
SER T  72
GLY T  69
VAL T 108
THR T 111
1.33A6.73
21.74
None
Potential target for repurposing, i.e. matched protein structure has less than 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 D 108
TYR D  27
VAL D  13
ASN D  10
ASN D  40
1.53A13.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY V  94
GLY V  70
LEU V  92
PRO Q  84
VAL V  97
1.31A7.59
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 10
LEU Q  92
THR Q 111
GLY Q  69
THR Q  56
ILE Q  55
1.62A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE I  38
ASP I  82
ILE I  81
PRO I  84
LEU I 112
1.39A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		Dopamine4 / 5
GLU N  66
LEU N  45
HIS M  48
THR I  47
1.54A19.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IWI_A_CAMA418_0
(CYTOCHROME P450-CAM)		Camphor5 / 8
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.59A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
ASP U 106
GLY U  34
GLY U  35
SER U  33
PHE U  16
1.61A13.68
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.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.75A13.65
20.35
17.83
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.
3OOI_A_SAMA237_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC)		S-Adenosylmethionine5 / 12
ARG O  78
TYR O  30
CYH O  74
CYH O  77
LEU O  75
1.76A19.01
None
None
ZN  O 998 (-2.0A)
ZN  O 998 (-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.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 6
LYS Q   9
ILE Q  38
VAL Q 108
LEU Q  75
1.52A19.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		Acetic acid3 / 3
PRO N   8
ASN N  10
ARG N  78
1.29A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		Benzoic Acid5 / 8
GLY N  69
GLY N  70
SER N  72
ALA N  71
ILE N  38
1.68A13.67
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.
2J9C_A_ACTA1122_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		Acetic acid4 / 7
SER T  11
VAL T  13
LYS T   9
SER W  15
1.55A20.25
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
PRO E  59
GLY E  70
GLY E  94
SER E  67
VAL F  42
GLY E  69
1.69A18.96
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.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.54A21.50
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
VAL K 119
GLY I 125
THR I 115
VAL I 116
CYH I 128
1.31A16.43
None
None
None
None
ZN  I 999 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		Benzoic Acid4 / 6
ARG C 113
TYR C 126
THR C 102
PRO C 100
1.77A20.12
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.
4DRJ_A_RAPA201_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4
SERINE/THREONINE-PRO
TEIN KINASE MTOR)		Sirolimus4 / 8
LEU W  14
THR X  58
ASP N  22
PHE N  19
1.44A17.53
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.
4J5J_B_478B401_1
(PROTEASE)		Amprenavir5 / 8
LEU C  92
ASP C  91
ASN J  85
GLY C 121
VAL C  97
1.45A23.27
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine3 / 3
SER T  11
HIS N  80
ASP T  22
1.28A19.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		Vitamin C4 / 8
ALA H   9
ASN H  10
ARG H  78
PRO K  23
1.38A17.25
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.
3S56_A_ROCA201_1
(PROTEASE)		Saquinavir5 / 12
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.34A22.15
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		Saquinavir4 / 5
ARG W  78
LEU W  75
PRO W 107
VAL W 108
1.77A23.27
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		Cefamandole4 / 8
LEU N  45
ALA M 104
THR I 101
LYS I  43
1.11A22.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ARG A  78
ALA A  71
LEU A  75
LEU A  92
VAL A  97
1.65A12.83
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP X  82
THR R  58
PRO R  59
1.01A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.22A21.05
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.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)		Riboflavin4 / 8
TYR N  76
TYR N  27
ARG N 113
VAL N  13
1.65A22.01
18.64
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ASP J  29
SER D  11
PHE J  16
ASP J  22
1.40A18.01
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.
2QAK_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.30A21.05
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib6 / 12
LEU G  75
ALA G  26
GLY G 109
ASP G 106
LEU G  31
GLY G  35
1.66A18.21
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
PHE E 110
TYR E 126
GLY E 125
GLY E 127
1.30A21.17
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ALA C  71
GLY C  94
GLY D  69
LYS D  93
TYR D  96
1.77A16.73
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY V  70
GLY V  69
GLN V  98
0.69A12.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_B_ASCB501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		Vitamin C5 / 12
HIS M  48
GLN M  98
GLN M  65
ALA I 104
ILE M  99
1.73A15.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		Nelfinavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.31A21.62
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 9
VAL C 108
LEU C  31
ASN C  10
VAL C  13
LEU C  14
1.48A18.64
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.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		Gabapentin4 / 8
THR Q  58
GLY Q  50
THR Q  49
VAL O  21
1.06A15.85
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.
3PWM_B_017B402_2
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.33A25.17
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		Aminoglutethimide4 / 8
PRO D 107
GLU D  66
PHE D  68
TRP D 123
1.69A23.87
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir5 / 9
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.26A25.17
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
MET N  63
ASN N  62
GLY N  50
MET I  63
LEU N  45
1.70A18.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
HIS O  48
GLY O  69
VAL O  97
GLU O  60
CYH O  73
1.66A21.37
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.
5UPD_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3)		S-Adenosylmethionine5 / 11
ARG O  78
TYR O  30
CYH O  74
CYH O  77
LEU O  75
1.69A19.92
None
None
ZN  O 998 (-2.0A)
ZN  O 998 (-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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir3 / 3
ARG H  78
VAL H  97
THR H 111
1.26A25.17
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.51A25.17
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.
1AV2_A_DVAA6_0
(GRAMICIDIN A)		L-Valine3 / 3
ALA E  61
VAL E  97
TRP E 123
1.53A6.04
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP X  82
THR R  58
PRO R  59
0.96A21.05
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.
2HS2_A_017A201_2
(PROTEASE)		Darunavir5 / 12
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.32A25.17
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		Minocycline5 / 8
ARG G  78
PHE G  68
GLY G  69
GLY G 109
ASN G 105
1.66A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFS_B_J01B500_1
(ORF12)		Clavulanate5 / 9
HIS S  80
ILE S  81
ARG S  78
ALA S  71
LYS S  93
1.73A16.19
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)		Saquinavir5 / 11
GLY P  70
ALA P  71
GLY O  94
THR O  58
PRO O  59
1.19A23.27
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.
4YNP_A_SAMA2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
LYS F  87
GLY F  88
TYR F  76
CYH B  90
ILE B  55
1.58A20.35
None
None
None
ZN  B 998 (-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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		Darunavir5 / 9
GLY X  35
ASP X  29
GLY X 109
LEU X  14
VAL X  13
1.57A21.19
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.57A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR F  30
SER F  11
GLN F  36
THR F  39
1.53A17.38
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.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		Spermine4 / 4
ALA A  26
TYR A  30
ALA A  18
TYR A  27
1.55A17.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		Minocycline5 / 11
ARG G  78
PHE G  68
GLY G  69
GLY G 109
ASN G 105
1.62A16.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDW_A_RITA100_2
(PROTEASE)		Ritonavir5 / 9
ARG V  78
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.59A25.17
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
SER X  15
CYH X  79
ILE X  81
SER Q  11
1.27A20.45
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.
4YPA_B_SAMB2304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L)		S-Adenosylmethionine5 / 12
GLY Q 125
ASN Q 114
GLN Q  65
CYH Q 103
ILE Q  99
1.69A19.64
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
VAL M  97
MET M 122
THR M 101
ILE M  99
THR M  56
1.21A20.08
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.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.56A21.50
19.10
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.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib4 / 6
ILE I  81
LEU L  75
ILE L  81
CYH L  79
1.37A18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JUO_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA)		Levofloxacin3 / 4
SER E  72
GLY F  69
GLU F  66
0.90A14.29
12.17
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.
6BOC_A_EU7A102_0
(MATRIX PROTEIN 2)		Rimantadine4 / 6
SER T  15
SER W  15
ALA N  18
ALA T  18
1.27A11.19
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.
4QVL_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.37A19.91
19.30
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
ALA L  18
ASN L  10
LEU L  14
ALA L   9
LEU L  31
1.52A16.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
LEU B  31
ASN B  85
LEU B  75
VAL L  57
GLN L  53
1.68A22.22
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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		Acetohydroxamic Acid4 / 7
HIS J  48
LEU J  45
THR M  49
THR M  47
1.51A19.31
None
Potential target for repurposing, i.e. matched protein structure has less than 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 L 118
ASN F  85
PHE F  89
1.24A17.29
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.
6DM0_B_CYZB1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		Cyclothiazide5 / 10
LEU W  14
ASP W  22
ILE W  38
PRO W  37
GLY W 109
1.65A9.12
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.
5G6S_C_RAUC400_1
(IMINE REDUCTASE)		Rasagiline5 / 12
MET J  44
SER J  72
GLY I  94
MET I  44
TYR I  96
1.36A18.06
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.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU D  92
GLU D  66
SER D  72
ALA D  61
TRP D 123
1.73A21.24
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.
4QVN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.58A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		Atazanavir5 / 11
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.28A22.30
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid4 / 4
VAL R 108
THR R 111
VAL R  97
GLY R  70
1.38A10.64
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.33A22.30
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.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
HIS I  48
THR M 101
THR I 101
ILE I  99
1.33A21.19
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid4 / 8
ARG X  78
ILE X  38
TYR X  27
GLY X 109
1.43A22.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS I  48
GLU I  66
LEU N  45
LEU M  45
HIS M  48
1.70A13.93
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		Cholic Acid4 / 8
MET I  44
PRO J  59
SER J  67
GLY J  94
1.28A16.76
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.30A25.87
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		Posaconazole5 / 12
ALA I  71
ALA M  61
THR M  49
LEU J  45
MET I  44
1.40A17.11
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
GLY G  35
ASP G 106
TYR G  27
THR G  39
1.12A18.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL K 119
GLY I 125
THR I 115
VAL I 116
CYH I 128
1.28A16.43
None
None
None
None
ZN  I 999 (-2.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 7
TYR D  96
VAL C  42
VAL D  42
GLY C  69
1.11A22.37
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.34A23.08
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.
5G6S_A_RAUA400_1
(IMINE REDUCTASE)		Rasagiline5 / 11
MET I  44
TYR I  96
MET J  44
SER J  72
GLY I  94
1.36A18.06
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid4 / 5
VAL R 108
THR R 111
VAL R  97
GLY R  70
1.37A10.64
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.
3MNO_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone4 / 6
MET A  44
LEU B  45
MET B  63
TYR B  96
1.70A19.17
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		Mannitol5 / 12
ASN G  40
GLY H  50
ALA H  61
VAL G  42
GLN H  98
1.26A15.80
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA F  71
VAL F  42
MET E  44
GLY E  70
ALA E  71
1.35A15.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_A_IPHA101_0
(INSULIN)		Phenol5 / 10
CYH B  77
CYH B  74
CYH B  79
LEU B  14
LEU B 112
1.71A13.04
11.84
 ZN  B 998 (-2.2A)
ZN  B 998 (-2.1A)
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		Indinavir3 / 3
ARG W 113
VAL W 116
GLY W  52
0.88A25.17
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU U 112
GLY U 109
VAL U 108
TYR U  76
ASN U  10
1.64A18.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 5
MET M  63
TYR I  96
GLY I  69
GLY I  70
1.71A7.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)		Fluoxetine5 / 12
GLY H  35
LEU H  31
ILE H  38
ALA H  26
LEU H  14
1.25A15.51
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.
4QVQ_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.59A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
GLY M 121
SER M  67
GLN M  98
ILE M  55
ASP M  91
1.73A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		Pentamidine5 / 11
HIS M  48
LEU J  45
GLN M  65
SER M  67
GLY M  50
1.54A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
GLY V 109
VAL V  97
1.71A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 10
VAL C 108
LEU C  31
ASN C  10
VAL C  13
LEU C  14
1.43A18.64
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
HIS N  80
SER T  15
SER W  15
PHE W  19
1.60A17.68
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.
4QWU_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR S  56
SER S  67
GLY S  50
THR S  49
ALA S  61
1.58A21.50
21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		Tipranavir6 / 12
ARG V  78
LEU V  75
ALA V  26
ASP V  29
GLY V  35
VAL V 108
1.63A25.17
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.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Glyburide5 / 12
LEU H  75
TYR H  76
VAL H 108
ILE H  38
HIS B  80
1.68A18.21
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		Halofuginone5 / 12
HIS X  80
PHE U  19
VAL U  21
PRO U  23
PHE Q  19
1.69A15.49
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.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
LEU O  14
ASN O  10
ARG O  78
1.25A15.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA H  54
THR H  56
GLY H  69
GLY H  70
ASP H  91
1.37A19.91
19.30
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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 12
ALA T  61
GLY T  50
GLY T 127
ASN T  62
GLU T  66
1.52A18.49
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 6
LEU J  31
TYR J  30
ILE J  38
GLY J 109
1.40A13.16
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 7
ASN D  85
HIS D  83
ASP D  91
GLY D  94
1.39A7.70
None
ZN  D 998 (-2.9A)
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 11
ARG M  78
LEU M  75
GLY M  34
GLY M  35
VAL M 108
1.02A25.17
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
GLY Q  69
THR Q  56
ILE Q  55
LEU Q  92
THR Q 111
1.62A18.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY G  50
GLN G  98
GLU G  60
THR G  58
PHE G  68
1.80A13.65
20.35
17.83
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.
6EU9_D_READ601_1
(RETINOIC ACID
RECEPTOR)		Tretinoin5 / 7
VAL G  13
LEU G  75
PHE G  16
GLY G  34
GLY G 109
1.62A20.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		Pentamidine3 / 3
CYH N  79
HIS N  80
PHE T  19
1.54A17.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		Sulfanilamide4 / 8
GLU T  60
ASN T  62
GLN T  98
GLY T  52
1.51A6.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.23A25.17
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 10
ARG M  78
LEU M  75
GLY M  34
GLY M  35
VAL M 108
1.08A25.17
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		Aprepitant4 / 7
ILE S  99
GLN S  65
GLU S  60
VAL S  97
1.53A15.40
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
LEU E  14
ILE E  38
ILE E  81
HIS E  80
1.25A13.85
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.
5G6S_D_RAUD400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
MET D  44
TYR D  96
MET C  44
SER C  72
GLY D  94
1.34A18.06
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.
6B5Y_C_9F2C302_1
(BETA-LACTAMASE)		Ceftriaxone5 / 10
ARG I  78
PRO J  59
THR M  49
THR J  47
ASP E  29
1.57A22.59
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.
6FEK_A_ADNA1104_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 11
LEU H 112
GLY H 109
ILE H  55
VAL H 116
LEU H  92
1.10A18.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE I  38
ASP I  82
ILE I  81
PRO I  84
LEU I 112
1.36A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU C  92
ASP C  91
ASN J  85
GLY C 121
VAL C  97
ILE C  55
1.62A24.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL O 116
ARG O  78
PRO O 107
1.28A16.25
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		Salicylic acid5 / 11
GLY M  50
THR M  51
THR J  49
GLU M  60
LYS T  25
1.73A16.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 5
ASN T  62
HIS T  48
THR T  51
CYH T  46
1.47A17.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		Maraviroc4 / 5
THR M  49
LEU J  45
THR I  49
MET I  63
1.45A14.73
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.
5W4Z_B_RBFB502_2
(RIBOFLAVIN LYASE)		Riboflavin4 / 4
ASN I  62
GLN I  65
ASP I  64
THR M  39
1.68A15.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PEO_F_CU9F301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Metocurine4 / 7
TYR S  27
TYR S  76
CYH S  90
CYH S  77
1.63A20.09
None
None
ZN  S 998 (-2.2A)
ZN  S 998 (-1.9A)
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		Rifampicin4 / 6
GLN O  98
VAL O 116
ARG O  78
PRO O 107
1.32A17.21
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.
3G8I_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Aleglitazar5 / 12
CYH T  74
CYH T  73
SER T  72
ILE T  55
ILE T  99
1.74A20.38
 ZN  T 998 (-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.
1IWJ_A_CAMA418_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR V  76
LEU V 112
VAL V 108
ASP V  91
VAL V  97
1.59A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
PHE W  16
PHE W  19
LEU T  75
ILE T  38
TYR T  27
1.66A22.22
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.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
GLY N  70
ILE N  55
TRP N 123
GLN N  65
1.43A23.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 9
SER O  11
THR P  58
THR O  39
LYS M  25
ALA M  20
1.57A21.50
19.10
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		Estrone4 / 8
TYR I  30
LEU I  14
LEU I  75
THR I 111
1.50A21.11
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.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine5 / 9
ILE P  81
SER V  15
SER P  11
LEU P  14
CYH P  79
1.65A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine5 / 7
LEU C  92
ASP C  91
GLY C 121
VAL C  97
ILE C  55
1.37A25.17
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
GLY S 121
ALA S  54
VAL S  97
ILE S  99
ILE S  55
1.31A22.30
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		Testosterone4 / 7
LEU J  45
ALA M  61
THR M 101
THR I 101
1.06A17.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GEB_A_CAMA418_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
PHE S 110
VAL S 116
ILE S  55
VAL S  97
ILE S  99
1.65A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		Acetic acid4 / 4
ASN T  62
ALA T  61
GLY T  50
THR T  51
1.58A22.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)		Idelalisib5 / 12
PRO S 107
ILE S  99
VAL S 116
ASN S  85
ILE S  55
1.65A10.38
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.
3EL5_B_1UNB201_2
(PROTEASE)		Nelfinavir5 / 12
GLY I  70
ALA I  71
GLY J  94
THR J  58
PRO J  59
1.19A23.45
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.
4GKI_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin5 / 11
HIS T  48
GLN T  53
ASP P  29
ASN S  40
ASP P  22
1.80A17.29
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU X  75
ASP X  22
LEU X  92
HIS X  83
1.78A20.08
None
None
None
ZN  X 998 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
LEU E  92
ASP E  91
VAL E  57
GLY E 121
VAL E  97
1.35A23.08
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan5 / 12
THR E  49
GLY E  50
THR E  56
GLN E  98
GLN E  65
1.56A13.93
None