PDB ID: 3ee7


Macromolecule:
REPLICASE POLYPROTEIN 1A

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3ee7'

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.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN D  20
THR D  19
THR D  21
0.95A18.37
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
TYR A  31
LEU A  45
ASP A  47
THR A 109
1.37A18.60
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY C  93
ARG C  55
LEU C  51
ALA C  54
ALA C  16
1.45A16.67
None
GOL  C 126 (-3.1A)
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 100
GLU B 104
GLY B 100
ILE A  91
VAL A 102
1.49A16.91
None
None
None
GOL  A 127 ( 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.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 5
VAL C 102
LEU C   9
SER C 105
MET C  12
1.58A11.63
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
ASN A  98
GLY A  93
LEU A  42
GLY C  61
ASP C  60
1.21A13.55
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		Febuxostat5 / 12
LEU A  29
LEU A  45
PHE A  75
VAL A 102
ALA A 107
1.48A6.82
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.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Vemurafenib5 / 12
ALA A  54
ILE A  65
THR A  67
SER A  46
PHE A  40
1.16A17.08
None
GOL  A 127 ( 4.0A)
GOL  A 127 (-3.4A)
None
GOL  A 127 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 12
SER A 105
LEU B  42
TYR B  31
ALA B   8
LEU B 112
1.38A11.46
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA C  43
GLY C  17
ALA C  28
CYH C  14
1.19A21.54
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
PRO D   6
GLU C 104
LEU D   9
LEU D  42
1.50A10.54
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		Diclofenac5 / 11
LEU D 106
VAL D 102
LEU C   9
GLY C 100
SER C   5
1.24A14.15
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.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.48A18.24
GOL  A 127 ( 4.9A)
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		Hyoscyamine4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.45A18.25
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.
3LSL_A_PZIA800_0
(GLUTAMATE RECEPTOR 2)		Piracetam4 / 7
TYR C  89
ASN C  27
LEU C  51
LYS C  52
1.70A18.85
None
None
None
GOL  C 124 (-2.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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_ACTA823_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B   9
ALA B   8
GLU A 104
0.86A13.51
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin4 / 7
GLY B  17
ALA B  16
ASP B  25
ARG B  55
1.29A12.96
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU C  42
ARG C  99
VAL C 102
ILE C  91
LEU C  69
1.63A13.44
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
ALA D  15
LEU D  88
PHE D  90
GLY D 100
LEU D   9
1.33A14.99
None
None
GOL  D 129 (-4.5A)
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU B  44
LEU B  45
LEU B  51
ALA B  16
THR B  24
1.37A22.22
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
ARG D  99
GLY D 100
LEU D   9
LEU D 106
ALA D 107
1.33A20.00
GOL  D 129 (-4.0A)
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.
3PS9_A_SAMA670_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine5 / 12
GLU A  68
GLY C  63
PHE C  56
ILE A  65
GLY C  61
1.59A9.63
None
None
None
GOL  A 127 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER A  35
LEU A   4
ALA B 107
MET A 101
GLY B 100
1.33A17.96
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		Tretinoin6 / 12
PHE A  90
LEU A  88
ALA A  43
VAL A  41
LEU B  97
ARG A  99
1.63A18.62
None
None
None
GOL  A 127 (-4.0A)
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		Histamine3 / 3
ASP D  78
LEU D 114
LEU D 112
1.16A20.00
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		Nicotine4 / 8
TYR C  66
THR A  21
TYR A  66
TRP C  53
1.63A17.87
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG C  55
PHE C  56
ASN C  27
ASP C  26
1.59A13.77
GOL  C 126 (-3.1A)
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
PHE C  90
ILE D  91
PHE D  90
ALA D  43
GLY C 100
1.40A13.09
None
None
GOL  D 129 (-4.5A)
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		Niacin5 / 8
ALA C  22
ARG C  55
ASN C  27
THR C  24
ALA C  15
1.79A15.06
15.29
None
GOL  C 126 (-3.1A)
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.49A18.63
GOL  A 127 ( 4.9A)
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 11
LEU C  94
ALA C  30
ALA C  43
LEU D  97
LEU C 103
1.26A19.21
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
LEU A  44
GLU A  68
SER A  46
THR A  67
ALA A  54
1.34A18.55
None
None
None
GOL  A 127 (-3.4A)
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.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		Niacin4 / 8
PHE D  90
LEU D  45
TYR D  31
LEU D 106
0.98A14.47
GOL  D 129 (-4.5A)
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER B 105
ALA A   8
VAL A   7
1.10A11.53
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		Halothane4 / 8
ALA A  43
LEU A  51
LEU A  69
ALA A  54
1.17A11.60
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		Lisinopril3 / 3
ALA D  15
THR D  24
PHE D  56
1.44A11.45
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.63A17.97
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP D  53
GLN D  49
THR D  18
1.15A20.86
None
GOL  D 127 (-3.8A)
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		Chloroquine3 / 3
MET B 101
GLU A 104
LEU B  42
1.76A19.49
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		Alectinib5 / 10
LEU C  94
ALA C  43
LEU C  45
GLY C 100
LEU C 103
1.35A14.83
None
None
GOL  C 123 ( 4.8A)
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin4 / 5
ASN D  27
ALA D  16
ALA D  15
ARG D  55
1.07A20.13
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
GLY D 100
GLY C 100
LEU D   9
ASN C  96
LEU D  94
1.65A11.01
None
None
None
PO4  D 124 ( 3.2A)
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU A  42
LEU A  94
LEU A 106
LEU A 103
1.37A19.26
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.
2BXE_B_1FLB2001_1
(SERUM ALBUMIN)		Diflunisal5 / 12
LEU A   4
VAL A 102
GLY A 100
LEU A  42
SER A  35
1.53A11.60
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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.42A20.27
None
None
None
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		Adenosine4 / 5
THR B  77
THR B 109
LEU B  29
LEU B  45
1.04A13.57
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		Fludarabine5 / 12
ASP C  60
GLY C  61
GLY C  63
ALA A  54
GLY A  93
1.46A16.11
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU A  94
LEU A  42
ILE A  91
ALA A  30
LEU A  69
1.55A13.44
None
None
GOL  A 127 ( 4.9A)
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.71A18.04
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 8
PHE B  56
THR B  67
LEU B  69
ALA B  16
1.16A9.79
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		Phenylacetic acid4 / 8
MET C 101
SER C   5
SER C  35
ALA C   8
1.37A19.62
12.70
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU A  97
LEU A  94
PHE A  56
ALA A  30
ALA A  43
1.52A19.77
None
None
GOL  A 127 ( 4.6A)
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL B  41
LEU A 103
ILE B  65
ILE B  91
1.32A16.67
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY B  93
GLU B  70
ASN B  95
1.11A16.96
None
None
GOL  A 129 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		Acetic acid3 / 3
GLN D  20
THR D  19
THR D  21
0.94A18.37
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		Nicotinamide5 / 11
SER C 105
VAL C 102
LEU C  88
LEU C  29
LEU C  45
1.54A17.86
None
None
None
GOL  C 123 ( 4.6A)
GOL  C 123 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP B  53
GLN B  49
THR B  18
1.22A20.86
GOL  B 124 ( 4.6A)
PO4  B 122 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
HIS A  48
ASP A  50
ALA A  16
TYR A  89
1.62A13.43
GOL  A 126 (-4.4A)
GOL  A 126 (-3.0A)
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LEU A  88
ALA A  43
LEU A  42
LEU A  69
1.42A5.33
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
PHE A  56
VAL A  41
PHE A  75
LEU A 106
ALA A  28
1.68A23.08
GOL  A 127 ( 4.6A)
GOL  A 127 (-4.0A)
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		Acetic acid4 / 6
LEU B  69
LEU B  42
VAL B  41
PHE B  90
1.41A13.87
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 10
LEU A  44
GLY C  61
GLY C  63
VAL A  41
ILE A  91
1.13A22.83
None
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_D_T3D602_1
(TRANSTHYRETIN)		Liothyronine5 / 12
LEU D   9
GLU D 104
LEU D  45
ALA D  43
LEU D  29
1.34A18.37
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.
3LSL_G_PZIG800_0
(GLUTAMATE RECEPTOR 2)		Piracetam4 / 6
TYR C  89
ASN C  27
LEU C  51
LYS C  52
1.65A18.85
None
None
None
GOL  C 124 (-2.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE4_A_T44A128_1
(TRANSTHYRETIN)		Levothyroxine5 / 10
LEU D   9
GLU D 104
LEU D  45
ALA D  43
LEU D  29
1.27A16.42
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A  97
ASN A  98
LEU B  97
GLY A 100
VAL B 102
1.55A17.83
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 10
ALA C  16
SER C  46
LEU C  44
LEU C  69
HIS C  48
1.65A19.78
None
GOL  C 123 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU C   9
GLY D 100
GLY C 100
LEU D  42
ALA D 107
1.68A17.81
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.
3ERD_A_DESA600_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 12
LEU C  97
GLU D 104
LEU C  42
LEU C   9
LEU C  94
1.57A18.05
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU B  42
LEU B   9
SER B  35
ALA B   8
1.44A16.33
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		Suramin5 / 12
LEU B  51
LEU B  29
LYS B  86
TYR B  87
PRO B  72
1.68A21.43
None
None
GOL  B 123 (-3.0A)
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU B  44
ALA B  30
PHE B  56
ASN B  34
GLY B  38
1.43A14.81
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 11
TYR C  31
VAL C 102
GLY D 100
ASN C  33
VAL C   7
1.72A15.82
22.60
19.27
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 10
ILE A  91
THR C  62
ASP C  60
VAL A  41
ILE A  65
1.74A20.86
GOL  A 127 ( 4.9A)
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU D  42
LEU D   9
VAL D 102
SER D 105
VAL D  41
1.47A16.92
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.
2BXF_B_DZPB2001_1
(SERUM ALBUMIN)		Diazepam5 / 12
LEU C  44
ILE C  91
LEU C 106
VAL C 102
LEU C  88
1.64A11.60
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.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)		Cholic Acid4 / 6
LEU A  88
LEU A 103
PRO B   6
VAL B   7
1.65A12.44
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
PHE A  90
LEU A  88
LEU A  29
ALA A  43
VAL A  41
1.51A19.33
None
None
None
None
GOL  A 127 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 5
GLY A  17
THR A  18
GLY A  82
LEU A  45
1.25A11.52
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		Estrone5 / 12
LEU C  97
GLU D 104
LEU C  42
LEU C   9
LEU C  94
1.55A18.97
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE A  40
ASN A  95
GLY A  93
THR C  62
1.17A14.10
GOL  A 127 ( 4.8A)
GOL  A 125 ( 4.0A)
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C  41
ILE C  65
THR C  67
LEU C  44
ALA C  30
1.44A12.88
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.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU C   9
GLN C  11
SER C   5
LEU C 112
TYR D  31
1.75A19.14
None
None
None
GOL  C 125 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 11
ILE A  91
THR C  62
ASP C  60
VAL A  41
ILE A  65
1.52A20.14
GOL  A 127 ( 4.9A)
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
SER A 105
LEU A 103
PHE A  90
VAL A 102
PHE A  75
1.70A18.35
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.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
LEU B   9
SER B 105
THR B 109
VAL B 110
LEU B 112
1.64A6.82
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 10
LEU A   9
GLY B 100
GLY A 100
LEU A   4
LEU A  97
1.36A18.40
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)		Acetic acid4 / 5
PRO A  57
ILE A  65
TYR A  66
TYR C  66
0.93A25.34
6.67
None
GOL  A 127 ( 4.0A)
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.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		Crizotinib4 / 8
LEU A  94
ALA A  43
GLY A 100
LEU A 103
0.68A15.15
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.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		S-Adenosylmethionine4 / 6
CYH B  73
ASN B  96
LEU B  94
GLU B  70
1.73A13.41
None
PO4  A 123 ( 3.4A)
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		Phenylacetic acid4 / 7
MET C 101
SER C   5
SER C  35
ALA C   8
1.31A19.62
12.21
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.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide3 / 3
VAL D 110
SER C   5
LEU D 106
1.21A11.83
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol6 / 12
LEU D  42
LEU D   9
VAL D 102
SER D 105
VAL D  41
LEU D  69
1.72A17.25
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.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)		Salicylic acid5 / 9
LEU B   9
SER B 105
THR B 109
VAL B 110
LEU B 112
1.61A6.82
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET D 101
LEU C 103
LEU C 106
ALA C 107
LEU D   9
1.56A20.42
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL D 110
LEU D   9
ALA D 107
SER C   5
LEU D  88
1.43A13.15
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Pentazocine5 / 11
ALA B   8
TYR A  31
LEU A   9
THR A 109
ALA A 108
1.58A19.82
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
LEU B 103
ALA B  43
LEU B  45
PHE B  75
1.04A20.95
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.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.39A21.58
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		Adenosine5 / 11
GLY C  63
ILE A  91
LEU A  69
GLY C  61
THR C  64
1.49A21.70
None
GOL  A 127 ( 4.9A)
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP C  47
GLN C  20
GLY C  17
THR C  21
SER C  46
1.68A17.60
GOL  C 123 (-3.6A)
None
None
None
GOL  C 123 (-3.7A)
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine5 / 12
LEU B  42
ASN B  33
LYS B  58
ASP B  60
GLY B  37
1.44A13.10
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
ALA D 107
GLY D 100
GLU D 104
THR D 109
1.23A13.17
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin3 / 3
ASN B  33
VAL B 110
HIS B 119
1.41A19.67
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 10
PHE C  56
SER C  13
ASN C  27
GLY C  17
ALA C  54
1.38A8.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SMT_A_ACTA1001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		Acetic acid4 / 5
LEU C  94
GLY C  93
PHE C  90
ARG C  99
1.78A12.27
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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 12
TYR B  31
ALA B   8
GLU A 104
ALA B 108
GLN B  11
1.75A15.36
19.47
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.
2QD2_A_CHDA2_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU C  42
ARG C  39
PRO C   6
SER C   5
1.53A16.52
None
None
PO4  C 122 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
GLY D 100
GLY C 100
VAL D 102
ALA D  43
ASN D  95
1.50A17.16
None
None
None
None
GOL  D 128 (-3.7A)
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.
1ERR_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene5 / 6
LEU D  97
LEU C  97
LEU C  94
LEU D 106
LEU D  88
1.58A18.50
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY D  82
LYS D  81
GLU D 115
LEU D 114
LEU D 112
1.59A15.62
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		Cefixime3 / 3
GLY C  93
GLU C  68
THR A  62
0.89A20.69
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 11
TYR B  31
ALA B   8
GLU A 104
ALA B 108
GLN B  11
1.60A15.36
19.47
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
GLY C  61
GLY C  63
THR A  67
0.80A15.09
None
None
GOL  A 127 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA B 107
GLU A 104
LEU B 103
LEU B  94
GLY B 100
1.56A17.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR C  62
ILE A  91
LYS A  92
PHE A  56
1.62A13.36
None
GOL  A 127 ( 4.9A)
None
GOL  A 127 ( 4.6A)
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL A  41
LEU B 103
ILE A  65
ILE A  91
1.01A16.67
GOL  A 127 (-4.0A)
None
GOL  A 127 ( 4.0A)
GOL  A 127 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0
(VITAMIN D3 RECEPTOR)		Calcipotriol5 / 12
LEU C  45
LEU C  42
VAL C 102
SER C  35
LEU C 112
1.40A16.67
GOL  C 123 ( 4.8A)
None
None
None
GOL  C 125 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
ASN B  96
LEU B  94
ALA B  43
LEU B  42
1.43A13.17
PO4  A 123 ( 3.4A)
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE D  40
LEU C 103
LEU D   9
ASN D  98
LEU D  97
1.32A15.75
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 6
SER B   5
ALA A 107
MET B 101
LEU A  88
1.73A16.74
4.44
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.
6CGD_D_AKND600_1
(BIFUNCTIONAL AAC/APH)		Amikacin5 / 11
SER D  46
ASN D  27
HIS D  48
ASP D  50
TYR D  89
1.73A15.71
None
None
GOL  D 127 (-3.8A)
GOL  D 127 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_B_SAMB401_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY D 100
GLY C 100
ASN D  96
ALA D 107
ASN C  33
1.44A16.56
None
None
GOL  D 128 ( 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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU D  94
ALA D  43
LEU D 106
GLY D 100
LEU D 103
0.95A18.08
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.
2JT9_A_ACAA7_1
(5-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
CYCLOLINOPEPTIDE X
MODIFIED 16-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
HOMEOTIC PROTEIN
ANTENNAPEDIA)		Aminocaproic Acid4 / 5
LEU B  29
LEU B  45
ARG B  10
GLN B  11
1.07A11.36
8.33
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.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE A  91
THR C  62
ASP C  60
VAL A  41
ILE A  65
1.52A20.86
GOL  A 127 ( 4.9A)
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL D 110
LEU D   9
ALA D 107
SER C   5
LEU D  88
1.61A13.85
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.
4KLR_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU C  42
ARG C  39
PRO C   6
SER C   5
1.54A16.52
None
None
PO4  C 122 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU C  97
GLU D 104
LEU C   9
LEU C  94
1.46A18.43
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR A  24
ALA A  15
ALA A  22
GLY A  17
ALA A  54
1.63A18.33
22.01
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 7
GLY B 100
ALA B 107
ASN A  98
LEU A   9
1.19A15.66
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.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		S-Adenosylmethionine3 / 3
THR A  19
GLU A  68
ASP C  60
1.60A20.09
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.
3VYW_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY A 100
ASN B  96
GLU B 104
ALA B  43
LEU B  88
1.61A16.56
None
PO4  A 123 ( 3.4A)
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP C  53
GLN C  49
THR C  18
1.23A20.86
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
SER A 105
LEU B  42
TYR B  31
ALA B   8
LEU B 112
1.28A11.46
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		Ibuprofen5 / 11
LEU A   4
VAL A 102
GLY A 100
LEU A  42
SER A  35
1.55A11.60
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine4 / 6
THR A  62
THR A  64
THR A  67
ASP C  60
1.65A12.81
None
None
GOL  A 127 (-3.4A)
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL A  41
ARG A  74
PRO A  72
1.39A12.21
GOL  A 127 (-4.0A)
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 12
ALA C  43
GLY D 100
LEU C  45
ALA C 107
LEU C  88
1.35A15.33
None
None
GOL  C 123 ( 4.8A)
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 5
TYR A  32
VAL A  41
GLY A  38
ARG A  39
1.58A14.71
PO4  A 122 (-4.5A)
GOL  A 127 (-4.0A)
None
PO4  A 124 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
GLY C  63
THR A  62
TYR C  66
ALA C  54
PHE C  40
1.35A15.56
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE D  90
LEU D  88
LEU D  45
ALA D  43
LEU C  97
1.38A18.12
GOL  D 129 (-4.5A)
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.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 8
ASN D  98
SER D  35
LEU D   4
PRO D   6
1.50A16.26
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.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol5 / 12
LEU B   9
VAL B   7
SER B   5
VAL B 102
LEU B  94
1.40A16.92
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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A 103
LEU B  97
GLY A 100
GLY B 100
CYH A  73
1.58A19.91
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH C  14
ALA C  30
THR A  62
ALA C  16
ILE C  65
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG C  55
PHE C  56
ASN C  27
ASP C  26
1.67A13.77
GOL  C 126 (-3.1A)
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.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 8
GLU D 104
LEU C   9
ARG C  10
ALA D 108
1.26A6.82
None
None
GOL  C 125 (-3.4A)
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		Nabumetone4 / 7
ASN B  33
ALA B   8
GLU B 104
LEU B  42
1.16A13.86
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE C  91
ALA C  30
LEU C  88
SER C 105
ARG C  99
1.76A16.88
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		Salicylic acid4 / 7
VAL B 102
LEU B  88
LEU B  29
VAL B  41
1.12A21.66
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG C  55
PHE C  56
ASN C  27
ASP C  26
1.58A13.77
GOL  C 126 (-3.1A)
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		Adenosine5 / 11
LEU C  51
ALA C  28
VAL C  41
ALA C  54
GLU C  70
1.33A16.67
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.
1I6V_C_RFPC1640_1
(DNA-DIRECTED RNA
POLYMERASE)		Rifampicin5 / 12
ARG B 111
GLN A 113
LEU A 112
GLN B 113
ARG B  39
1.72A7.07
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A  91
VAL A  41
ALA A  15
ARG A  55
TRP A  53
1.44A17.01
GOL  A 127 ( 4.9A)
GOL  A 127 (-4.0A)
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.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Azithromycin4 / 6
PRO A   6
ALA B  30
LEU B  29
TYR B  87
1.37A16.61
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.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU A  29
VAL A 102
SER A 105
LEU A   9
LEU A  45
1.69A11.73
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.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 11
LEU A  88
PHE A  90
GLU A  70
VAL A 102
ASN A  98
1.65A16.07
14.81
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP C  60
ARG C  39
THR C  62
1.18A18.87
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
ALA D  54
ILE D  91
ILE D  65
THR D  67
PHE D  40
0.94A15.56
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid5 / 8
GLY B  37
GLY B  38
SER B  35
LEU B  42
VAL B   7
1.53A15.92
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU D  45
PHE D  75
LEU D  88
PHE D  90
1.38A15.98
21.49
None
None
None
GOL  D 129 (-4.5A)
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide4 / 8
THR B  18
GLY B  17
ALA B  22
SER B  46
1.05A17.61
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU C   9
SER C   5
PRO C   6
LEU C 112
TYR D  31
1.68A16.88
None
None
PO4  C 122 (-4.7A)
GOL  C 125 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.50A17.83
GOL  A 127 ( 4.9A)
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.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B  44
LEU B  88
LEU B  29
THR B 109
VAL B 102
1.43A13.15
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.
5XIW_B_LOCB504_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER C 105
ALA D   8
VAL D   7
1.10A11.53
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		Lidocaine3 / 3
PRO D  83
THR D  77
LEU D 112
1.18A15.94
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.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
VAL A   7
LEU A  94
LEU A   4
VAL A 102
LEU B 103
1.37A11.43
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.
4X1Y_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER B 105
ALA B   8
VAL B   7
1.10A11.97
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU C 103
GLY C 100
GLY D 100
VAL C   7
LEU C   9
ASN C  98
1.70A16.14
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 5
LEU B  69
ALA B  30
THR B  67
PHE B  56
1.59A13.62
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
SER C  35
PHE C  40
THR C  67
LEU C  42
GLY C  93
1.57A14.51
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN C  33
ALA C  15
ALA C  16
LEU C  42
LEU C  44
1.30A18.83
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.
4O0U_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
VAL C  41
ALA C  43
LEU C  69
THR A  62
1.34A18.99
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		S-Adenosylmethionine5 / 12
LEU C   9
ARG C  10
SER C   5
ASN C  33
LEU C  42
1.37A12.55
None
GOL  C 125 (-3.4A)
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU C  42
TYR C  31
ARG C  99
LEU C   9
1.42A22.67
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A  14
LEU A  44
ALA A  30
THR C  62
ALA A  16
1.51A13.15
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
LEU C   9
GLY D 100
GLY C 100
LEU D  97
ALA D  43
1.48A17.17
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.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		Benzylpenicillin4 / 5
ASN A  27
ALA A  16
ALA A  15
ARG A  55
1.01A20.13
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.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
ARG A  99
LEU A   9
GLY B 100
ASN B  96
LEU A 103
1.35A15.56
None
None
None
PO4  A 123 ( 3.4A)
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.
3BGR_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Rilpivirine5 / 11
LEU D 106
CYH D  73
TYR D  87
TYR D  89
LEU D  45
1.60A14.60
13.08
None
GOL  D 129 ( 4.0A)
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		Indomethacin4 / 6
LEU A 103
ALA A 107
SER A 105
THR A 109
1.37A21.58
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid5 / 12
VAL A 110
SER A 105
LEU B  42
ALA B   8
LEU B 112
1.38A16.58
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
THR A 109
SER B   5
GLN A  11
LEU A  29
LEU A  45
1.62A20.86
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.
6C71_A_NCTA501_1
(AMINE OXIDASE)		Nicotine5 / 10
LEU B  69
TYR B  89
THR B  18
ALA B  28
ASN B  27
1.48A14.26
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.
4AX8_A_SAMA1474_1
(WBDD)		S-Adenosylmethionine4 / 6
GLN D 113
ARG C  10
ASP D  78
LEU C 112
1.59A11.64
None
GOL  C 125 (-3.4A)
None
GOL  C 125 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU C  45
LEU C  44
ALA C  43
LEU C  42
LEU C 103
1.62A19.43
GOL  C 123 ( 4.8A)
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.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol5 / 12
LEU A  29
LEU A  94
ILE A  91
LEU A  69
LEU A   9
1.29A23.91
None
None
GOL  A 127 ( 4.9A)
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU D  88
ILE D  91
PHE D  90
GLY D 100
0.92A20.69
None
None
GOL  D 129 (-4.5A)
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B 103
GLU B  70
ASN B  96
ALA B  43
ALA B  30
1.49A19.09
None
None
PO4  A 123 ( 3.4A)
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.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
LEU A 103
LEU A  88
ARG A 111
0.61A13.15
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		Propofol4 / 6
TYR D  31
LEU D   9
ARG D  10
LEU D  29
1.24A22.67
None
None
PO4  D 122 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
PHE A  40
LEU A  94
THR A  67
THR C  62
1.08A21.69
GOL  A 127 ( 4.8A)
None
GOL  A 127 (-3.4A)
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.
1MZ9_A_VDYA1002_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
ILE A  91
LEU A  42
VAL A 102
ALA A 108
1.09A22.22
GOL  A 127 ( 4.9A)
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.
5LF3_K_BO2K305_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
THR C  67
ALA C  16
ALA C  22
TYR C  66
ASP C  50
1.50A19.10
18.96
None
None
None
None
GOL  C 124 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
ALA D  43
TYR D  31
LEU D  94
GLY D 100
1.06A22.93
18.30
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR C  62
ILE A  91
LYS A  92
PHE A  56
1.65A13.36
None
GOL  A 127 ( 4.9A)
None
GOL  A 127 ( 4.6A)
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 8
ASN B  27
SER B  46
LYS B  86
ASP B  25
SER B  13
1.66A10.08
None
None
GOL  B 123 (-3.0A)
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG D  99
GLY D 100
SER C  35
0.96A9.39
GOL  D 129 (-4.0A)
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		Teniposide5 / 12
LEU A   4
PRO A   6
ALA B 107
LEU A  97
GLY A  93
1.54A11.60
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 6
ARG B  74
GLN B  49
TYR B  87
PRO B  72
1.54A27.27
None
PO4  B 122 (-4.0A)
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.50A18.87
GOL  A 127 ( 4.9A)
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		Glucosamine3 / 3
ARG C  10
ARG C 111
ARG D 111
1.37A11.76
GOL  C 125 (-3.4A)
GOL  C 125 (-4.4A)
PO4  C 122 (-4.5A)
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		Tretinoin6 / 12
PHE B  90
LEU B  88
ALA B  43
VAL B  41
LEU A  97
ARG B  99
1.79A18.62
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
PHE C  90
ALA C  43
ALA C  30
ALA C  16
LEU C  88
1.38A11.60
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		Dopamine4 / 7
ALA C  30
PHE C  56
ALA C  54
LEU C  44
1.03A14.01
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
LEU B   9
SER B 105
THR B 109
VAL B 110
LEU B 112
1.63A6.82
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Theophylline4 / 8
LEU C   9
LEU C  94
ASN C  95
ILE C  91
1.37A14.06
None
None
PO4  D 124 (-4.3A)
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.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
LEU A  42
VAL A 102
SER A 105
PHE A  90
LEU A  51
1.44A13.72
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.
4X20_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER B 105
ALA B   8
VAL B   7
1.10A11.97
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  94
ALA A  43
LEU A  88
GLY A 100
LEU A 103
1.24A14.04
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ASN A  98
GLY A  93
LEU A  42
GLY C  61
ASP C  60
1.23A13.55
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.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		Kanamycin4 / 8
ASP A  26
ASP A  25
GLY A  17
THR A  64
1.29A18.13
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.
1ETA_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.26A21.58
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 5
PHE B  56
THR B  67
LEU B  69
ALA B  16
1.65A7.64
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		Adenosine4 / 5
LEU D  42
VAL D 102
GLU C 104
LEU D   9
1.58A13.45
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 100
ASN B  98
PRO A   6
LEU B  42
LEU B  88
1.50A20.80
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.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU D   9
GLU D 104
LEU D  45
ALA D  43
1.15A18.37
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE C  90
LEU C  94
GLY C 100
LEU C 103
ASN C  96
1.36A14.17
18.12
None
None
None
None
PO4  D 124 ( 3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		Propofol4 / 6
LEU D 106
VAL D 110
VAL C   7
SER C   5
1.33A11.60
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.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
ILE C  91
LEU C  69
ALA C  30
VAL C  41
1.25A21.29
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
HIS D  48
ASP D  50
ALA D  16
TYR D  89
1.61A13.43
GOL  D 127 (-3.8A)
GOL  D 127 (-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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE A  90
LEU A 103
LEU B  97
0.85A11.68
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine4 / 6
GLY C  63
THR C  64
GLU A  68
ASP C  60
1.60A9.63
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
THR D  67
PHE D  56
ALA D  54
LEU D  42
VAL D 102
1.43A17.84
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL C  41
LEU D 103
ILE C  65
ILE C  91
1.27A16.67
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU B  94
ALA B  43
LEU B  42
GLY B 100
LEU B 103
1.32A17.57
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.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
TYR D  31
VAL C   7
LEU D 106
LEU D 112
GLU D 104
1.64A16.31
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.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 9
ALA D 108
LEU C  42
ASN C  34
LEU C   9
ARG C  10
1.64A17.05
None
None
PO4  C 122 (-3.3A)
None
GOL  C 125 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 11
ALA D 108
VAL D 102
ALA D   8
LEU D 103
TYR C  31
1.47A19.46
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ALA D  16
ASP D  47
LEU D  45
LEU D  44
LEU D  69
1.76A13.75
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU C  42
ARG C  39
PRO C   6
SER C   5
1.58A16.52
None
None
PO4  C 122 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 7
LEU A  69
LEU A  29
ILE A  91
GLY A  93
LEU A  94
1.37A5.33
None
None
GOL  A 127 ( 4.9A)
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene5 / 12
ALA D  43
LEU D  42
LEU D  29
ALA D  30
VAL D 110
1.44A19.65
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
PHE C  56
SER C  13
ASN C  27
GLY C  17
ALA C  54
1.39A8.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU D 106
LEU D 112
PHE D  75
1.15A14.82
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.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim4 / 8
ILE A  65
LEU A  69
PHE A  56
THR C  62
1.18A20.35
GOL  A 127 ( 4.0A)
None
GOL  A 127 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_B_DAHB2_1
(RANASMURFIN)		Levodopa4 / 8
ALA B  54
ALA B  30
SER B  13
ALA B  15
1.42A21.54
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A  42
LEU A  45
LEU A   9
GLY A 100
LEU A 103
1.52A14.93
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		Histamine3 / 3
ASP D  78
LEU D 114
LEU D 112
1.15A20.54
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
ALA A  30
ALA A  28
VAL A  41
ILE A  65
1.10A12.09
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR A  67
ILE A  65
GLY C  61
GLY C  63
ASP C  60
1.27A20.34
GOL  A 127 (-3.4A)
GOL  A 127 ( 4.0A)
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		Nabumetone4 / 7
GLY A  17
TYR A  66
GLY C  63
THR C  62
1.25A15.94
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.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.18A17.57
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 11
LEU A  44
GLY C  61
GLY C  63
VAL A  41
ILE A  91
1.22A22.83
None
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
ALA C  28
ALA C  15
LEU C  88
LEU C  45
LEU C  94
1.40A23.44
None
None
None
GOL  C 123 ( 4.8A)
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		Calcitriol5 / 12
LEU D   9
VAL D 102
SER D 105
VAL D  41
LEU D  69
1.44A16.56
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.
2XRZ_B_ACTB1463_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		Acetic acid4 / 7
ILE C  91
ALA C  54
GLY A  63
THR A  62
1.04A12.78
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG C  55
PHE C  56
ASN C  27
ASP C  26
1.64A13.80
GOL  C 126 (-3.1A)
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU B  45
GLN B  11
LEU B  88
PHE B  90
1.60A15.98
21.49
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR C  62
ILE A  91
LYS A  92
PHE A  56
1.75A13.36
None
GOL  A 127 ( 4.9A)
None
GOL  A 127 ( 4.6A)
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.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU D  88
ALA D  43
SER D 105
ASN D  96
1.21A16.50
None
None
None
GOL  D 128 ( 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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		Diflunisal5 / 11
LEU A   4
VAL A 102
GLY A 100
LEU A  42
SER A  35
1.52A11.60
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		Tamoxifen4 / 7
PRO D   6
LEU D  97
GLY D 100
LEU C 103
1.53A12.50
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU C  44
LEU C  51
ARG C  55
0.99A16.52
None
None
GOL  C 126 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.55A18.87
GOL  A 127 ( 4.9A)
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.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
LEU C 103
GLY D 100
GLY C 100
VAL D 102
LEU D  42
1.34A15.67
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		Boceprevir5 / 12
GLN C  11
SER C 105
ALA D 108
ALA D 107
VAL D 110
1.48A20.49
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU A 106
VAL A 110
ASP A  78
1.00A12.92
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
ASN B  98
MET B 101
TYR B  32
ARG B  10
1.52A17.78
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
MET D 101
LEU C 103
LEU C 106
ALA C 107
LEU D   9
1.63A18.11
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 6
PHE A  40
ILE A  91
GLY C  61
GLY C  63
1.15A22.12
GOL  A 127 ( 4.8A)
GOL  A 127 ( 4.9A)
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.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
VAL C   7
LEU C  97
LEU D  88
GLU D 104
TYR D  31
1.73A16.31
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY A  93
GLU A  70
ASN A  95
1.03A16.96
None
None
GOL  A 125 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
GLY D 100
LEU D   9
LEU D  42
LEU D  97
ASN D  96
1.45A17.19
None
None
None
None
GOL  D 128 ( 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.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 8
LEU D  51
ALA D  43
LEU D  44
TYR D  89
1.13A16.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER A  13
LEU A  88
ALA A  43
LEU A  45
1.06A21.58
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
PHE D  90
LEU D  88
ALA D  43
LEU D  42
PHE C  40
1.50A21.48
GOL  D 129 (-4.5A)
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
VAL C 110
ALA C 107
LEU D 103
LEU D   9
SER C   5
1.26A18.83
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.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG A 111
ALA A 108
PRO B   6
ALA A 107
1.19A19.15
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU A  94
ALA A  30
ALA A  43
LEU A 103
PHE A  40
1.38A19.21
None
None
None
None
GOL  A 127 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU A  88
ALA A  43
LEU A  45
SER A  13
1.18A21.58
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.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
ASN B  33
LEU A 103
ALA A 107
SER B   5
1.23A20.13
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.
2R5P_B_MK1B902_1
(PROTEASE)		Indinavir5 / 12
LEU A  44
GLY C  61
GLY C  63
VAL A  41
ILE A  91
1.15A23.62
None
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XWF_A_ADNA433_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR A 109
GLU A 104
HIS B 119
1.61A13.63
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU D 106
ARG D  74
PRO D  80
PRO D  83
1.47A16.52
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam4 / 6
VAL A 102
LEU A 103
LEU A  94
PHE A  56
1.50A11.83
None
None
None
GOL  A 127 ( 4.6A)
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B  94
ASN B  98
CYH B  14
ALA B  54
ALA B  16
1.70A19.50
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A   9
ALA A  43
LEU A  88
LEU A 103
PRO B   6
1.50A20.86
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.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 12
LEU C  94
VAL C 102
GLN C  11
ILE C  91
ALA C  54
1.13A19.05
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
ASN C  33
MET C 101
VAL C   7
ASN C  95
1.55A16.08
None
None
None
PO4  D 124 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 8
LEU A   4
PHE A  40
PHE A  56
LEU A  69
1.24A20.17
None
GOL  A 127 ( 4.8A)
GOL  A 127 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LII_A_ADNA699_2
(ADENOSINE KINASE)		Adenosine4 / 4
SER C 105
LEU C  88
TYR C  31
GLY C 100
1.60A16.72
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
SER D  13
LEU D  69
ARG D  55
PHE D  56
1.41A11.46
GOL  D 126 (-4.0A)
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU A  97
GLY B 100
LEU B   9
LEU B  94
LEU B  42
1.39A11.68
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLY C 100
MET C 101
LEU C   9
PHE C  40
ASN C  33
1.46A18.78
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B  89
GLY B  17
ALA B  54
SER B  46
LEU B  29
1.60A16.78
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone6 / 12
LEU D  69
LEU D  45
LEU D 103
LEU D  94
THR D  67
PHE D  56
1.77A17.97
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
GLY B  17
LEU B  51
HIS B  48
1.35A17.55
None
None
PO4  B 122 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Doxycycline4 / 6
LEU B  29
SER B  13
ASP B  26
HIS B 118
1.66A14.48
18.18
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		Benzoic Acid5 / 8
ALA C  54
VAL C  41
PHE C  56
ALA C  15
MET C  12
1.46A10.63
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Ibuprofen5 / 11
VAL A 110
SER A 105
TYR B  31
ALA B   8
LEU B 112
1.37A11.72
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU D  51
ALA D  54
LEU D  69
ALA D  43
ALA D  28
1.18A23.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZN7_B_DESB600_1
(ESTROGEN RECEPTOR)		Diethylstilbestrol5 / 11
LEU C  97
GLU D 104
LEU C  42
LEU C   9
LEU C  94
1.52A18.50
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.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.41A18.32
None
None
None
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_B_MXMB807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam5 / 12
VAL A 102
LEU A 103
LEU A  94
PHE A  56
LEU A  88
1.42A11.83
None
None
None
GOL  A 127 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 12
LEU C  94
PHE C  56
ALA C  43
LEU C 103
PHE C  40
1.75A18.58
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.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
SER A 105
LEU B  42
TYR B  31
ALA B   8
LEU B 112
1.24A11.46
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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		Carbocisteine4 / 8
ASN A  34
PHE A  40
VAL A  41
ALA A   8
1.13A17.48
PO4  A 122 (-4.3A)
GOL  A 127 ( 4.8A)
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal5 / 11
PHE B  90
ALA B  43
ALA B  30
ALA B  16
LEU B  88
1.40A11.60
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		Riboflavin5 / 12
VAL C 102
ASN C  33
ASN C  95
LEU C  94
ILE C  91
1.76A25.66
None
None
PO4  D 124 (-4.3A)
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR C  79
THR C 109
LEU C  29
0.92A13.57
None
None
GOL  C 123 ( 4.6A)
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Sulfathiazole5 / 9
GLN C  11
LEU C 112
ARG C  39
ARG C  10
ALA C   8
1.63A19.40
None
GOL  C 125 (-4.0A)
None
GOL  C 125 (-3.4A)
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 12
LEU A 106
LEU A  45
PHE A  90
ALA A  30
LEU A   9
1.52A13.44
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.
5VKQ_B_PCFB1804_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate5 / 8
LEU A  69
LEU A  29
ILE A  91
GLY A  93
LEU A  94
1.38A5.33
None
None
GOL  A 127 ( 4.9A)
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.
3D9L_A_ACTA501_0
(CTD-PEPTIDE
RNA-BINDING PROTEIN
16)		Acetic acid4 / 5
PRO C  57
ILE C  65
TYR C  66
TYR A  66
0.89A25.34
6.67
GOL  C 126 (-4.5A)
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA A 107
GLY A 100
LEU B  97
LEU B   9
LEU B  94
1.39A12.50
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone4 / 6
MET C  12
ALA C  54
LEU C  44
ALA C  28
1.48A12.25
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.
6B58_A_ACTA603_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
TYR B  89
ASN B  27
LEU B  51
1.25A12.16
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASP C  60
GLY C  61
GLY C  63
ALA A  54
GLY A  93
1.44A16.11
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.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
SER A 105
LEU B  42
TYR B  31
ALA B   8
LEU B 112
1.24A11.46
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Phenylacetic acid4 / 7
MET C 101
PRO C   6
ALA D 107
SER C  35
1.51A20.10
12.70
None
PO4  C 122 (-4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ILE A  65
ALA A  54
LEU A  44
CYH A  14
LEU A 106
1.42A17.39
GOL  A 127 ( 4.0A)
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 5
LEU C  94
PHE C  40
VAL C 102
ALA C  43
1.64A19.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine4 / 7
GLY C  61
GLY C  63
GLU A  68
ASP C  60
1.24A14.85
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C  41
ILE C  65
THR C  67
LEU C  44
ALA C  30
1.40A12.88
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE D  91
LEU D  44
ILE D  65
GLY D  17
1.16A18.42
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
LEU C  44
LEU C  51
ALA C  15
HIS C  48
1.55A16.08
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.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA A  15
LEU A  69
LEU A  44
LEU A  94
PHE A  56
1.64A17.39
None
None
None
None
GOL  A 127 ( 4.6A)
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.52A18.24
GOL  A 127 ( 4.9A)
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU D  42
ARG D  10
ARG D  39
GLY D  38
1.42A16.52
None
PO4  D 122 ( 3.6A)
GOL  D 126 (-3.2A)
GOL  D 125 ( 3.7A)
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Hyoscyamine4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.45A18.25
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU C  42
TYR C  31
ARG C  99
LEU C   9
1.41A22.67
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D 107
LEU D 103
GLU D 104
ASN C  96
LEU C  94
1.78A20.00
None
None
None
PO4  D 124 ( 3.2A)
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
LEU D  51
ASP D  50
LEU D  69
THR D  19
1.58A15.44
None
GOL  D 127 (-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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		Creatine4 / 6
THR D 109
VAL D 110
LEU C 112
SER C   5
1.79A17.46
None
None
GOL  C 125 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A  40
ILE A  91
GLY C  61
GLY C  63
1.14A22.12
GOL  A 127 ( 4.8A)
GOL  A 127 ( 4.9A)
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.
4MJR_A_0LAA404_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen5 / 9
ARG C  55
TYR C  66
LEU C  44
VAL C  41
MET C  12
1.60A14.95
GOL  C 126 (-3.1A)
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.
3GV1_B_BEZB303_0
(DISULFIDE
INTERCHANGE PROTEIN)		Benzoic Acid4 / 4
LEU D 103
ALA D 107
VAL D 110
PRO C   6
1.74A22.64
None
None
None
PO4  C 122 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS A  52
ASP A  50
ILE A  91
1.60A18.78
None
GOL  A 126 (-3.0A)
GOL  A 127 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR C  19
GLY C  17
ASN C  27
HIS C  48
ASP C  50
1.39A18.72
None
None
None
None
GOL  C 124 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU D 106
ALA D 108
LEU D 103
VAL C 110
1.34A22.48
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.
1TW4_A_CHDA130_1
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid3 / 3
TYR C  32
ARG C 111
GLN C 113
1.72A22.22
None
GOL  C 125 (-4.4A)
GOL  C 125 ( 4.6A)
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE C  91
LEU C  44
ILE C  65
GLY C  17
1.11A18.42
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.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
ARG C  55
PHE C  56
ASN C  27
ASP C  26
1.62A13.77
GOL  C 126 (-3.1A)
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 6
LEU D 106
LYS D  86
GLN D 113
PHE D  75
1.52A22.22
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.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ILE A  91
ASP C  60
ARG A  99
1.66A18.87
GOL  A 127 ( 4.9A)
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.43A16.56
None
None
None
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		Paroxetine4 / 7
VAL B  41
ALA B  54
LEU B  94
LEU B  29
1.31A12.90
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.
5MXB_A_ML1A220_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 9
LEU B  42
VAL B 102
LEU B 112
HIS B 119
TYR B  31
1.75A17.82
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		Edetic Acid4 / 8
LYS C  36
THR C  67
THR A  62
ILE A  65
1.43A18.44
22.32
None
None
None
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
GLY B  63
ASP B  60
SER B  59
1.40A13.38
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
VAL C 110
ALA C 107
LEU D 103
LEU D   9
SER C   5
1.29A20.80
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.
6HU9_C_PCFC607_0
(CYTOCHROME B)		Colfosceril palmitate5 / 10
ALA B  54
TYR B  66
THR B  64
PHE B  56
VAL B  41
1.79A14.13
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.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)		Tretinoin5 / 11
ALA B  43
VAL B 102
MET B 101
LEU B 112
ALA A 107
1.67A18.70
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		Indomethacin5 / 12
ALA A   8
PHE A  75
GLY B 100
LEU A 103
PHE A  90
1.51A19.68
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		Levothyroxine5 / 9
LEU D  45
ALA D  43
LEU D  29
LEU D   9
GLU D 104
1.27A18.37
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.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
ASN C  96
GLY C 100
GLY D 100
LEU C 106
CYH C  73
1.39A19.91
PO4  D 124 ( 3.2A)
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ALA C  43
ALA C  54
SER C  46
LEU C  45
ALA C  28
1.41A14.15
None
None
GOL  C 123 (-3.7A)
GOL  C 123 ( 4.8A)
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.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid4 / 7
PHE C  90
SER D   5
PHE C  75
LEU C   9
1.43A18.31
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE D  40
LEU D   9
VAL D 102
MET D 101
1.43A11.60
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		Glycine3 / 3
ASN B  33
ASN B  34
ARG B  39
1.43A16.92
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
SER A 105
LEU B  42
TYR B  31
ALA B   8
LEU B 112
1.27A11.46
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		Valaciclovir4 / 5
HIS B 119
LEU A 112
LEU B 114
ASP A  78
1.63A12.73
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
LEU C  69
TRP C  53
ARG C  55
GLY C  17
1.41A8.43
None
None
GOL  C 126 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine5 / 12
GLY C 100
ALA D 107
LEU C  97
SER C  35
ALA C  43
1.30A11.90
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.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D   8
VAL C 110
ARG C  10
LEU C 112
TYR D  31
1.64A15.92
None
None
GOL  C 125 (-3.4A)
GOL  C 125 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER A  13
LEU A  88
ALA A  43
LEU A  45
1.02A21.58
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU C 103
SER C 105
LEU C  42
ASN C  33
1.22A14.81
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		Acetic acid3 / 3
GLY D  17
THR D  24
ASN D  27
0.90A11.16
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU C  97
LEU C 103
SER C 105
LEU C   9
1.63A18.04
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.38A18.08
None
None
None
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 10
VAL C 102
GLY C 100
ALA C  43
LEU C  94
ASN C  96
1.68A8.75
None
None
None
None
PO4  D 124 ( 3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		Diflunisal5 / 7
LYS B   5
LEU A 103
ALA A 107
THR A 109
VAL A 110
1.58A21.58
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU A   9
LEU A   4
LEU A  97
GLY B 100
1.38A22.31
20.72
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
LEU C  29
ASP C  47
THR C  79
THR C  77
LEU C  45
1.61A12.59
GOL  C 123 ( 4.6A)
GOL  C 123 (-3.6A)
None
None
GOL  C 123 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 4
LEU A   9
ARG A  99
LEU A 103
ALA A  43
1.70A11.60
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid5 / 12
VAL A 110
SER A 105
LEU B  42
ALA B   8
LEU B 112
1.38A16.58
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.27A21.58
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 8
PRO C   6
SER C   5
GLU D 104
ALA D 108
1.52A20.18
PO4  C 122 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		Benzylpenicillin4 / 8
MET C 101
SER C   5
SER C  35
ALA C   8
1.33A19.62
12.21
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.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
PHE B  40
LEU B  42
MET B 101
ALA B   8
1.68A18.02
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 C  94
ALA C  43
LEU C  45
GLY C 100
LEU C 103
1.48A15.29
None
None
GOL  C 123 ( 4.8A)
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG D  74
THR D  77
VAL D  76
1.67A20.59
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 7
LEU A  45
LEU A  29
ARG A  39
GLU A  70
1.45A22.22
None
None
PO4  A 124 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
SER C  35
PHE C  40
THR C  67
LEU C  42
GLY C  93
1.58A14.51
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B  70
ALA B  43
LEU B  88
PRO B  72
GLY B 100
1.67A15.83
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.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		Imatinib5 / 12
VAL C  41
ILE C  65
THR C  67
LEU C  44
ALA C  30
1.32A15.82
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Nimesulide4 / 5
LEU A  45
ALA A  30
SER A  13
LYS A  86
1.55A18.25
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER B 105
ALA A   8
VAL A   7
1.13A11.53
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU C   9
ALA C  43
LEU C  94
GLY D 100
LEU C 103
1.72A18.05
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
PHE D  56
LEU D  88
ALA D  28
LEU D  51
ALA D  54
1.44A20.95
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL D 110
LEU D   9
ALA D 107
SER C   5
LEU D  88
1.45A13.15
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A  97
ASN A  96
GLY A 100
VAL A 102
LEU A   4
1.42A15.71
None
GOL  A 128 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		Dopamine4 / 6
PHE D  56
ALA D  54
ALA D  28
LEU D  44
1.34A14.04
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.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU C  51
LEU C  29
ALA C  30
GLN C  11
LEU C 106
1.56A17.97
None
GOL  C 123 ( 4.6A)
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.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A 107
THR A 109
VAL A 110
VAL B 110
1.38A11.30
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.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)		Estradiol5 / 6
LEU B   9
LEU B  29
LEU B  44
LEU B 106
HIS B 119
1.57A17.70
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Isoleucine4 / 6
ALA A 107
THR A 109
VAL A 110
VAL B 110
1.36A11.30
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE C  90
THR C  77
LEU C 103
1.04A20.86
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN C  33
ALA C  15
ALA C  16
LEU C  42
LEU C  44
1.26A20.80
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.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate3 / 3
TRP A  53
GLN A  49
THR A  18
1.21A20.86
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
THR D  67
ILE D  91
PHE D  56
LEU D  44
1.70A19.80
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.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR C  79
PRO C  83
THR C  77
1.56A11.76
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
SER D 105
LEU C  42
ALA C   8
LEU C 112
1.14A11.83
None
None
None
GOL  C 125 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_D_SAMD301_1
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine3 / 3
ARG B  10
GLU A 104
TYR B  32
1.25A16.37
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Nafcillin4 / 7
MET D 101
GLN D  11
ALA D   8
ASN D  34
1.57A7.82
None
None
None
PO4  D 123 (-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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU D  94
ALA D  43
LEU D 106
GLY D 100
LEU D 103
1.01A18.08
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 11
ALA A  16
ASN A  27
THR A  18
GLY A  17
ALA A  22
1.74A18.66
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
PHE C  90
LEU C  94
GLY C 100
LEU C 103
ASN C  96
1.37A14.17
18.12
None
None
None
None
PO4  D 124 ( 3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG C  10
ALA D 108
PRO C   6
ALA D 107
1.49A19.15
GOL  C 125 (-3.4A)
None
PO4  C 122 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
LEU B 103
GLY A 100
GLY B 100
VAL A 102
LEU A  42
1.36A15.58
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.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.51A18.87
GOL  A 127 ( 4.9A)
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.
5UAH_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
ARG B 111
GLN A 113
LEU A 112
GLN B 113
ARG B  39
1.76A5.84
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.
6D8F_A_ACTA803_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
GLU C 115
LEU C 114
ARG C 111
1.26A9.82
None
None
GOL  C 125 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
GLU B  70
LEU B  45
VAL B  41
LEU B  42
GLY B 100
1.55A15.34
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.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE A  91
THR C  62
ASP C  60
VAL A  41
ILE A  65
1.55A20.86
GOL  A 127 ( 4.9A)
None
None
GOL  A 127 (-4.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		Amlexanox4 / 7
VAL A  76
THR A  77
THR A  79
ARG A 111
1.68A14.88
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN B  20
ALA B  15
ALA B  54
THR B  67
1.34A14.21
GOL  B 124 (-3.1A)
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 9
LEU A  88
PHE A  90
GLU A  70
VAL A 102
ASN A  98
1.67A16.07
14.81
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.56A18.24
GOL  A 127 ( 4.9A)
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.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 7
LEU D 103
ALA D 107
SER D 105
THR D 109
1.38A21.58
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.
3T3Z_A_9PLA501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 6
LEU D   9
ALA D 107
THR D 109
LEU D  88
1.08A14.08
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A  51
LEU A  29
ALA A  30
GLN A  11
LEU A 106
1.72A15.58
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		Acarbose4 / 6
ALA D  16
SER D  59
LEU D  69
TRP D  53
1.29A11.46
None
GOL  D 125 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AQU_A_ESTA304_1
(ESTROGEN
SULFOTRANSFERASE)		Estradiol5 / 11
ASN C  33
SER C 105
TYR C  31
MET C 101
GLU D 104
1.74A13.85
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
PRO A  80
SER A 105
THR A  77
THR A  79
1.39A17.11
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.
4QVN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
SER B  46
GLY B  17
ALA B  16
THR B  24
CYH B  14
1.79A21.83
19.32
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.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 6
PHE C  90
VAL C 102
LEU C 106
SER D   5
1.49A20.17
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.
3NMU_F_SAMF228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 12
TYR B  31
ALA B   8
GLU A 104
ALA B 108
GLN B  11
1.69A15.36
19.47
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		Imatinib5 / 9
LEU C   9
VAL C 102
ALA C  43
ALA C  30
LEU C  29
1.67A19.52
None
None
None
None
GOL  C 123 ( 4.6A)
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate5 / 10
TYR C  31
VAL C 102
GLY D 100
ASN C  33
VAL C   7
1.71A15.82
22.60
19.27
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 6
PHE B  56
THR B  67
ALA B  28
ALA B  16
1.44A9.79
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.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
PHE D  90
THR D  77
VAL D 110
LEU D 103
LEU D  45
1.52A22.56
GOL  D 129 (-4.5A)
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.
2QAK_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG D  74
THR D  77
VAL D  76
1.74A20.31
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.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
VAL A   7
LEU A  94
LEU A   4
VAL A 102
LEU B 103
1.37A11.43
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.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid4 / 8
THR A  67
SER A  59
ARG A  39
GLU C  68
1.58A9.40
GOL  A 127 (-3.4A)
None
PO4  A 124 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 5
ILE A  91
LEU A  42
VAL A 102
ALA A 108
1.07A22.22
GOL  A 127 ( 4.9A)
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.
2BXE_A_1FLA2003_1
(SERUM ALBUMIN)		Diflunisal5 / 9
ARG D  55
LEU D  51
HIS D  48
LEU D  44
ALA D  15
1.76A11.60
None
None
GOL  D 127 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
ALA A  30
VAL A  41
GLN A  20
ARG A  39
ILE A  65
1.58A17.17
None
GOL  A 127 (-4.0A)
None
PO4  A 124 (-3.0A)
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU D  94
ALA D  43
LEU D 106
GLY D 100
LEU D 103
1.03A18.08
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		Glycine4 / 4
LEU B 106
LEU B 103
GLY B 100
GLU A 104
1.54A16.72
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY C 100
GLY D 100
ASN C  98
LEU C 103
LEU C  88
1.37A19.00
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Sorafenib5 / 12
ALA B 107
GLU A 104
LEU B 103
LEU B  94
GLY B 100
1.63A16.96
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.
3U88_A_CHDA611_0
(MENIN)		Cholic Acid3 / 3
SER D  35
PHE D  40
LYS D  38
1.49A10.91
None
None
GOL  D 125 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 8
ARG C  10
GLN C  11
TYR C  31
VAL C 110
1.48A21.88
GOL  C 125 (-3.4A)
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE A  40
ASN A  95
GLY A  93
THR C  62
1.12A14.10
GOL  A 127 ( 4.8A)
GOL  A 125 ( 4.0A)
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C  91
ALA C  54
LYS C  39
THR A  64
ILE A  65
1.49A18.63
None
None
None
None
GOL  A 127 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone6 / 12
LEU A  97
ASN A  98
LEU B  97
GLY A 100
VAL B 102
LEU A   4
1.76A18.07
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A  41
LEU A  88
LEU A 106
THR A 109
ARG A  10
1.69A13.15
GOL  A 127 (-4.0A)
None
None
None
PO4  A 122 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		Benzoic Acid4 / 6
PHE B  75
VAL B 102
LEU B  29
LEU B  45
1.43A13.83
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
LEU D  45
SER D  46
PHE D  56
ILE D  91
LEU D  69
1.46A20.44
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		Phenylbutazone6 / 12
LEU D  51
HIS D  48
LEU D  44
ALA D  30
SER D  13
ALA D  15
1.56A11.60
None
GOL  D 127 (-3.8A)
None
None
GOL  D 126 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU C  97
GLU D 104
LEU C   9
LEU C  94
1.41A18.05
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.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
ALA B  30
TYR B  32
PRO B  57
1.36A13.93
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent5 / 12
GLY A  63
ILE C  65
PHE C  56
ALA C  28
LEU C  69
1.35A11.63
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU A   4
SER A   5
LEU A  42
MET A 101
SER A 105
1.54A15.19
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER A  35
LEU A   4
ALA B 107
MET A 101
GLY B 100
1.27A17.96
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR C  19
GLY C  17
ASN C  27
HIS C  48
ASP C  50
1.32A18.72
None
None
None
None
GOL  C 124 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		Proflavine4 / 7
VAL D 110
LEU D 106
SER D 105
GLU D 104
1.47A13.98
15.56
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
CYH C  14
ALA C  28
LEU C  45
ALA C  43
VAL C  41
1.45A11.97
13.15
None
None
GOL  C 123 ( 4.8A)
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 6
TYR B  31
ALA B 107
SER B 105
THR B 109
1.39A10.56
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		Teniposide5 / 12
LEU A   4
PRO A   6
ALA B 107
LEU A  97
GLY A  93
1.53A11.60
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL D  41
LEU C 103
ILE D  65
ILE D  91
1.12A16.67
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		Ceritinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.26A14.17
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac4 / 8
LEU A  88
ALA A  43
LEU A  45
SER A  13
1.05A21.58
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.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		Benzoic Acid4 / 4
LEU C 103
SER D   5
LEU C  88
LEU C 106
1.64A12.50
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib5 / 12
LEU D  94
ALA D  43
LEU D 106
GLY D 100
LEU D 103
1.11A17.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL C  41
LEU C  44
ALA C  30
SER C  59
ALA C  54
1.15A20.98
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
LEU A  69
PHE A  56
GLY C  63
ILE A  91
VAL A  41
1.65A15.03
None
GOL  A 127 ( 4.6A)
None
GOL  A 127 ( 4.9A)
GOL  A 127 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
SER D  46
ALA D  16
ALA D  15
ALA D  28
1.27A12.09
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B  94
ALA B  43
LEU B  42
GLY B 100
LEU B 103
1.27A15.11
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
PHE C  40
THR C  67
ILE C  91
THR A  62
1.13A20.75
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.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine5 / 10
GLY C 100
GLY D 100
VAL C   7
ASN C  98
PHE C  90
1.77A14.32
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 9
THR A  62
GLY A  63
TYR C  66
ARG C  55
ILE C  65
1.49A23.28
None
None
None
GOL  C 126 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		Acetylsalicylic acid4 / 4
LEU A  69
GLY A  17
ASP A  50
TYR A  89
1.26A19.71
None
None
GOL  A 126 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid4 / 5
ASP D  50
ASP D  47
ASN D  27
ARG D  55
1.76A18.92
GOL  D 127 (-3.1A)
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.
5XIW_B_LOCB504_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER B 105
ALA A   8
VAL A   7
1.04A11.53
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A   9
VAL A 102
SER A 105
VAL A  41
LEU A  69
1.44A18.08
None
None
None
GOL  A 127 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OT2_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A   4
VAL A 102
GLY A 100
LEU A  42
SER A  35
1.61A13.86
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
LEU A 103
ALA A 107
THR A 109
VAL A 110
1.41A21.58
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide5 / 12
LEU B  42
LEU B  88
PHE B  40
ILE B  91
GLY B  93
1.34A11.83
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine4 / 8
ALA D  16
LEU D  69
ASP D  50
TYR D  89
1.39A17.58
None
None
GOL  D 127 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine6 / 12
GLY A 100
VAL A 102
ALA A 107
ALA B   8
LEU B  94
LEU B   9
1.67A20.80
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.
6EW0_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL C 110
LEU D  45
LEU D  29
ALA D 108
LEU D 112
1.23A13.15
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
LEU A  88
ILE A  91
PHE A  90
GLY A 100
0.91A18.42
None
GOL  A 127 ( 4.9A)
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU D 103
SER C  35
LEU C   9
ASN C  98
LEU C  97
1.43A16.14
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		Estradiol4 / 5
LEU B   9
LEU B  29
LEU B 106
HIS B 119
1.29A17.70
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.
2Q6H_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU C  42
ARG C  99
VAL C 102
ILE C  91
LEU C  69
1.64A13.44
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 8
SER D  46
ALA D  28
LEU D  51
LEU D  69
1.51A16.74
4.44
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.
4J5J_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
ALA C  54
ILE C  91
GLY A  63
ILE A  65
VAL C  41
1.49A20.17
None
None
None
GOL  A 127 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA B  28
SER B  46
HIS B  48
ASN B  27
ALA B  16
1.76A18.66
None
None
PO4  B 122 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.52A18.87
GOL  A 127 ( 4.9A)
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL D 110
LEU D   9
ALA D 107
SER C   5
LEU D  88
1.45A13.15
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		Vitamin A5 / 12
LEU D  94
PRO D   6
SER D  35
PHE D  40
LEU C 106
1.57A19.12
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.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 9
ALA C  16
SER C  46
LEU C  44
LEU C  69
HIS C  48
1.65A19.78
None
GOL  C 123 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR A  19
ALA A  28
ASN A  27
LEU A  44
1.42A21.55
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.
5LSU_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		S-Adenosylmethionine5 / 12
ARG A  39
GLY A  38
ASN A  98
ARG A  10
LEU A  42
1.55A16.47
PO4  A 124 (-3.0A)
None
None
PO4  A 122 ( 3.8A)
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.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.46A18.87
GOL  A 127 ( 4.9A)
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
PHE A  56
ALA A  54
LEU A  44
ASP C  60
1.32A11.60
GOL  A 127 ( 4.6A)
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.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR A  24
ALA A  15
ALA A  22
GLY A  17
ALA A  54
1.63A18.33
22.01
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
PHE B  40
LEU B   9
VAL B 102
LEU B  94
1.27A11.60
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
SER B   5
GLN A  11
LEU A  45
LEU A  29
LEU A  88
1.72A15.62
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA B 107
GLU A 104
LEU B 103
LEU B  94
GLY B 100
1.64A17.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN D  95
GLU D  70
LEU C  97
PHE D  90
1.56A23.39
GOL  D 128 (-3.7A)
None
None
GOL  D 129 (-4.5A)
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.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		Adenosine5 / 5
LEU C 103
SER C 105
LEU C  42
LEU C  88
ASN C  33
1.75A14.81
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  91
ALA A  54
LYS A  38
THR C  64
ILE C  65
1.47A18.87
GOL  A 127 ( 4.9A)
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 11
ALA A 107
ASN B  34
LEU B 112
VAL A 110
LEU A 112
1.48A15.92
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 4
LEU A  29
ILE A  91
TYR A  89
TYR A  32
1.79A18.08
None
GOL  A 127 ( 4.9A)
None
PO4  A 122 (-4.5A)
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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		Adenosine5 / 9
LEU A  29
ALA A  30
LEU A  69
ALA A  16
LEU A  51
1.47A17.73
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.
3KW2_A_ADNA300_1
(PROBABLE R-RNA
METHYLTRANSFERASE)		Adenosine5 / 11
ALA B  30
LEU B  44
LEU B  69
THR B  67
ALA B  54
1.34A20.08
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.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 12
ILE C  91
GLY A  63
THR A  64
PHE C  56
CYH C  14
1.37A13.84
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.
1ETB_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  88
GLU B  70
ALA B  43
LEU B  45
1.30A21.58
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A  94
ALA A  43
LEU A  42
GLY A 100
LEU A 103
1.17A17.57
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
SER C  35
ASN C  33
VAL C 102
SER C 105
1.36A15.12
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl4 / 8
THR A  62
ARG A  55
GLN C  20
TRP C  53
1.57A20.74
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		Mifepristone4 / 7
LEU D   4
ASN D  33
LEU D  97
MET D 101
1.52A17.31
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine3 / 3
SER B 105
ALA A   8
VAL A   7
1.13A11.97
None