SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NAI'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View 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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 LEU B  82
THR B 143
ASN B  55
TYR B  47
 None
None
NAI  B 301 (-4.3A)
NAI  B 301 ( 4.8A)
 1.10A 1afsA-4xshB:
undetectable		 1afsA-4xshB:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 LEU B  82
THR B 143
ASN B  55
TYR B  47
 None
None
NAI  B 301 (-4.3A)
NAI  B 301 ( 4.8A)
 1.11A 1afsB-4xshB:
undetectable		 1afsB-4xshB:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 11 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.27A 1akdA-4yacA:
undetectable		 1akdA-4yacA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		6 / 12 ILE A  37
LEU A  66
LEU A  14
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
None
NAI  A 601 (-3.3A)
None
None
 1.34A 1axwA-2hmsA:
undetectable		 1axwA-2hmsA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 ILE A  12
ILE A  78
LEU A 113
ILE A 116
HIS A 109
 None
NAI  A 601 (-3.9A)
None
None
None
 1.11A 1bsxA-2hmsA:
undetectable		 1bsxA-2hmsA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 ILE A  12
ILE A  78
LEU A 113
ILE A 116
HIS A 109
 None
NAI  A 601 (-3.9A)
None
None
None
 1.11A 1bsxB-2hmsA:
undetectable		 1bsxB-2hmsA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 LEU A  82
SER A  78
ASN A 175
 None
NAI  A 401 (-3.1A)
None
 0.78A 1bx4A-4n54A:
4.8		 1bx4A-4n54A:
22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		7 / 9 VAL A  27
GLY A  28
ASP A  53
ILE A  54
TYR A  85
ALA A  98
ILE A 119
 None
NAI  A1000 ( 4.2A)
NAI  A1000 (-2.8A)
NAI  A1000 (-4.3A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
 0.75A 1cetA-2x0iA:
38.4		 1cetA-2x0iA:
32.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		6 / 9 GLY A  15
ASP A  39
TYR A  71
ALA A  84
ILE A 109
GLU A 112
 NAI  A 401 ( 3.6A)
NAI  A 401 (-2.2A)
None
NAI  A 401 (-3.4A)
NAI  A 401 (-3.7A)
NAI  A 401 ( 3.5A)
 0.42A 1cetA-4plfA:
45.5		 1cetA-4plfA:
61.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 4plh MALATE DEHYDROGENASE
(Apicomplexa) 		6 / 9 GLY A  11
ASP A  35
ILE A  36
TYR A  67
ALA A  80
ILE A 100
 NAI  A 403 ( 4.3A)
NAI  A 403 (-2.8A)
NAI  A 403 (-3.8A)
None
NAI  A 403 (-3.4A)
NAI  A 403 (-3.7A)
 0.58A 1cetA-4plhA:
46.9		 1cetA-4plhA:
55.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 GLY A  12
ASP A  36
ILE A  37
ALA A  92
ILE A 114
 NAI  A 500 (-2.8A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.4A)
 0.88A 1cetA-4yaiA:
8.2		 1cetA-4yaiA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		4 / 8 LEU A  68
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.69A 1d4yB-1ek6A:
undetectable		 1d4yB-1ek6A:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 8 GLY A  15
ASN A  91
GLY A  14
VAL A 189
 None
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-4.0A)
 0.87A 1dbbH-4ituA:
undetectable
1dbbL-4ituA:
undetectable		 1dbbH-4ituA:
20.51
1dbbL-4ituA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 LEU A 189
PHE A 193
SER A 153
ILE A 146
LEU A 207
 NAI  A 850 (-3.3A)
None
None
None
None
 1.25A 1dreA-1mg5A:
undetectable		 1dreA-1mg5A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 4 ILE A  64
MET A 123
VAL A 184
GLY A 118
 NAI  A 401 (-3.9A)
None
None
None
 1.33A 1e06B-4y9dA:
undetectable		 1e06B-4y9dA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 7 GLY A 129
HIS A 132
THR A 160
ILE A 125
 NAI  A 502 (-3.6A)
None
None
NAI  A 502 (-3.7A)
 0.98A 1gtnF-4im7A:
undetectable
1gtnG-4im7A:
undetectable		 1gtnF-4im7A:
9.09
1gtnG-4im7A:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 7 GLY A 129
HIS A 132
THR A 160
ILE A 125
 NAI  A 502 (-3.6A)
None
None
NAI  A 502 (-3.7A)
 0.96A 1gtnJ-4im7A:
undetectable
1gtnK-4im7A:
undetectable		 1gtnJ-4im7A:
9.09
1gtnK-4im7A:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 4uup MALATE DEHYDROGENASE
(synthetic
construct) 		5 / 11 ALA A 153
LEU A 126
HIS A 186
ARG A 161
ALA A 244
 None
None
NAI  A 345 ( 3.5A)
PO4  A 346 (-3.9A)
NAI  A 345 ( 2.8A)
 1.14A 1h9zA-4uupA:
undetectable		 1h9zA-4uupA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 ASP A  68
ILE A  69
THR A  70
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
NAI  A 302 ( 4.0A)
None
 0.83A 1hmyA-1ahiA:
2.2		 1hmyA-1ahiA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 11 ILE A 531
ASN A 479
GLY A 485
GLY A 207
PHE A 483
 None
NAI  A 920 ( 4.6A)
None
None
None
 1.44A 1ho5A-1o0sA:
undetectable		 1ho5A-1o0sA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A 118
ASP A  64
GLY A  14
ILE A  75
ILE A  71
 None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.3A)
None
None
 0.86A 1hshA-4ituA:
undetectable		 1hshA-4ituA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		4 / 4 GLY A 259
ASP A 234
GLY A 168
THR A 175
 None
None
NAI  A 401 (-3.5A)
None
 1.09A 1hxbB-4ilkA:
undetectable		 1hxbB-4ilkA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 ILE A 139
GLY A 131
GLY A 133
ALA A 138
LEU A 184
 None
NAI  A 301 ( 4.2A)
NAI  A 301 (-3.0A)
None
None
 1.29A 1i9gA-1o9bA:
8.4		 1i9gA-1o9bA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		4 / 5 SER A 100
THR A 101
GLU A 133
GLY A 132
 None
NAI  A 300 (-4.0A)
None
None
 1.21A 1icrA-1vl0A:
undetectable
1icrB-1vl0A:
undetectable		 1icrA-1vl0A:
21.02
1icrB-1vl0A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		4 / 5 GLU A 133
GLY A 132
SER A 100
THR A 101
 None
None
None
NAI  A 300 (-4.0A)
 1.20A 1icrA-1vl0A:
undetectable
1icrB-1vl0A:
undetectable		 1icrA-1vl0A:
21.02
1icrB-1vl0A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 LEU A 171
ALA A 146
SER A 221
THR A 223
 None
None
None
NAI  A1001 (-4.5A)
 0.99A 1ictB-1wnbA:
undetectable		 1ictB-1wnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		4 / 5 SER A 100
THR A 101
GLU A 133
GLY A 132
 None
NAI  A 300 (-4.0A)
None
None
 1.20A 1icvC-1vl0A:
undetectable
1icvD-1vl0A:
undetectable		 1icvC-1vl0A:
21.02
1icvD-1vl0A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		4 / 5 GLU A 133
GLY A 132
SER A 100
THR A 101
 None
None
None
NAI  A 300 (-4.0A)
 1.20A 1icvC-1vl0A:
undetectable
1icvD-1vl0A:
undetectable		 1icvC-1vl0A:
21.02
1icvD-1vl0A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IVV_A_DAHA382_1
(AMINE OXIDASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 10 THR A 311
VAL A 130
HIS A 301
HIS A  26
MET A 101
 None
None
NAI  A 500 ( 4.9A)
None
None
 1.46A 1ivvA-3q2iA:
undetectable		 1ivvA-3q2iA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IVV_B_DAHB382_1
(AMINE OXIDASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 10 THR A 311
VAL A 130
HIS A 301
HIS A  26
MET A 101
 None
None
NAI  A 500 ( 4.9A)
None
None
 1.41A 1ivvB-3q2iA:
undetectable		 1ivvB-3q2iA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		4 / 8 LEU A  21
VAL A 239
GLY A 240
TYR A  25
 NAI  A1306 (-4.0A)
None
None
None
 1.04A 1jlfA-1gz6A:
0.0
1jlfB-1gz6A:
undetectable		 1jlfA-1gz6A:
21.99
1jlfB-1gz6A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.89A 1k6cB-2j6lA:
undetectable		 1k6cB-2j6lA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.95A 1kiaA-1mg5A:
7.2		 1kiaA-1mg5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 0.98A 1kiaA-2dknA:
undetectable		 1kiaA-2dknA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.95A 1kiaB-1mg5A:
7.2		 1kiaB-1mg5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.96A 1kiaC-1mg5A:
6.9		 1kiaC-1mg5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		4 / 5 GLU A 133
GLY A 132
SER A 100
THR A 101
 None
None
None
NAI  A 300 (-4.0A)
 1.19A 1kqbA-1vl0A:
undetectable
1kqbB-1vl0A:
undetectable		 1kqbA-1vl0A:
24.83
1kqbB-1vl0A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 11 PHE A  62
ALA A  21
GLY A  20
ARG A  83
PHE A  84
 None
None
NAI  A 301 (-3.3A)
None
None
 1.35A 1l5rA-4nbuA:
4.3		 1l5rA-4nbuA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1869_0
(FPRA)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 4 ASP A  40
HIS A  41
ARG A  38
GLU A 197
 None
NAI  A 500 (-3.9A)
None
None
 1.45A 1lqtA-4yaiA:
5.8		 1lqtA-4yaiA:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M2W_A_MTLA5600_0
(MANNITOL
DEHYDROGENASE)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		7 / 9 ASN A 185
ASP A 224
LYS A 289
LEU A 293
ASN A 294
HIS A 297
LYS A 374
 NAI  A 502 ( 3.3A)
CS2  A 501 (-3.6A)
CS2  A 501 (-2.7A)
CS2  A 501 ( 4.5A)
CS2  A 501 (-3.0A)
CS2  A 501 (-3.7A)
CS2  A 501 (-2.8A)
 0.49A 1m2wA-4im7A:
51.6		 1m2wA-4im7A:
38.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M2W_B_MTLB6600_0
(MANNITOL
DEHYDROGENASE)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		7 / 9 ASN A 185
ASP A 224
LYS A 289
LEU A 293
ASN A 294
HIS A 297
LYS A 374
 NAI  A 502 ( 3.3A)
CS2  A 501 (-3.6A)
CS2  A 501 (-2.7A)
CS2  A 501 ( 4.5A)
CS2  A 501 (-3.0A)
CS2  A 501 (-3.7A)
CS2  A 501 (-2.8A)
 0.51A 1m2wB-4im7A:
51.9		 1m2wB-4im7A:
38.57
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 11 ILE X 263
ALA X 266
ARG X 111
VAL X 116
ALA X 119
 NAI  X 401 (-4.5A)
None
None
None
None
 1.13A 1n4hA-3fmxX:
undetectable		 1n4hA-3fmxX:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.96A 1nbhB-1mg5A:
6.6		 1nbhB-1mg5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 1.01A 1nbhB-2dknA:
undetectable		 1nbhB-2dknA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 1.07A 1nbiA-2dknA:
5.2		 1nbiA-2dknA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.98A 1nbiB-1mg5A:
7.0		 1nbiB-1mg5A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 1.06A 1nbiB-2dknA:
5.2		 1nbiB-2dknA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 LEU A  62
ALA A  92
GLY A 118
LEU A  88
PHE A  10
 None
NAI  A 401 (-3.6A)
None
None
None
 1.12A 1nr6A-4y9dA:
undetectable		 1nr6A-4y9dA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 LEU A  63
ALA A  92
GLY A 118
LEU A  88
PHE A  10
 None
NAI  A 500 ( 4.1A)
None
None
None
 1.17A 1nr6A-4yacA:
undetectable		 1nr6A-4yacA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 4cuk D-LACTATE
DEHYDROGENASE
(Salmonella
enterica) 		5 / 12 PRO A 102
ILE A 150
GLY A 151
GLY A 153
PRO A 206
 None
NAI  A1331 (-4.9A)
NAI  A1331 (-3.6A)
NAI  A1331 (-3.2A)
NAI  A1331 (-3.5A)
 1.12A 1nv8A-4cukA:
6.2		 1nv8A-4cukA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 ILE A 120
GLY A 162
ILE A 135
THR A 139
ALA A 286
 None
None
None
NAI  A1000 (-4.4A)
None
 1.05A 1nv8B-2x0iA:
6.5		 1nv8B-2x0iA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.75A 1nv8B-4n54A:
5.7		 1nv8B-4n54A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.66A 1qaoA-1ahiA:
6.1		 1qaoA-1ahiA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		6 / 12 GLY A  14
GLY A  16
ASP A  40
LEU A  43
ASP A  64
ILE A  94
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
None
None
NAI  A 301 (-3.6A)
None
 0.91A 1qaoA-4ituA:
5.5		 1qaoA-4ituA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		4 / 7 THR A 267
PHE A 178
SER A 276
LEU A 202
 NAI  A1001 (-3.7A)
MPD  A2001 ( 3.8A)
None
MPD  A2001 ( 4.8A)
 1.11A 1qcaA-3afoA:
undetectable		 1qcaA-3afoA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 VAL A 185
ILE A 138
ILE A  22
ILE A  18
VAL A 244
 None
None
None
NAI  A1270 (-3.6A)
None
 1.04A 1qhyA-1zjyA:
3.6		 1qhyA-1zjyA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		4 / 8 GLY A  14
GLY A  16
GLY A  17
LEU A  20
 None
NAI  A 850 (-3.5A)
NAI  A 850 (-3.5A)
None
 0.66A 1qzzA-1mg5A:
5.9		 1qzzA-1mg5A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_1
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 3adp LAMBDA-CRYSTALLIN
(Oryctolagus
cuniculus) 		4 / 4 SER A 123
SER A 121
LEU A  99
PHE A 106
 NAI  A1001 ( 4.8A)
None
None
None
 1.46A 1r5lA-3adpA:
0.3		 1r5lA-3adpA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 LEU A 189
PHE A 193
SER A 153
ILE A 146
LEU A 207
 NAI  A 850 (-3.3A)
None
None
None
None
 1.26A 1rh3A-1mg5A:
undetectable		 1rh3A-1mg5A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  13
GLY A  15
ILE A  39
ASP A  64
GLN A  22
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-3.8A)
NAI  A 500 (-3.6A)
None
 0.91A 1ri4A-4yacA:
6.9		 1ri4A-4yacA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 1e3e ALCOHOL
DEHYDROGENASE, CLASS
II
(Mus
musculus) 		4 / 7 ARG A 222
LEU A 204
GLY A 203
PHE A 202
 None
None
NAI  A 377 (-3.4A)
None
 0.89A 1rtsB-1e3eA:
undetectable		 1rtsB-1e3eA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.89A 1rxcB-4mioA:
undetectable		 1rxcB-4mioA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.93A 1rxcE-4mioA:
undetectable		 1rxcE-4mioA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.89A 1rxcI-4mioA:
undetectable		 1rxcI-4mioA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.90A 1rxcK-4mioA:
2.1		 1rxcK-4mioA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		4 / 4 THR A 187
GLY A  14
ASP A  38
ALA A  93
 NAI  A 850 (-2.7A)
None
NAI  A 850 (-2.8A)
NAI  A 850 (-3.5A)
 1.25A 1sg9A-1mg5A:
6.1		 1sg9A-1mg5A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ILE A  60
GLY A  14
ALA A  92
VAL A  47
ALA A  42
 None
None
NAI  A 401 (-3.6A)
None
None
 1.01A 1sg9C-4y9dA:
7.3		 1sg9C-4y9dA:
26.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 ILE A  37
LEU A  66
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
NAI  A 601 (-3.3A)
None
None
 0.95A 1tlsA-2hmsA:
undetectable		 1tlsA-2hmsA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		6 / 12 ILE A  37
LEU A  66
LEU A  14
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
None
NAI  A 601 (-3.3A)
None
None
 1.34A 1tlsB-2hmsA:
undetectable		 1tlsB-2hmsA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		6 / 12 ILE A  37
LEU A  66
LEU A  14
GLY A  13
VAL A  42
ALA A  52
 NAI  A 601 (-3.8A)
None
None
NAI  A 601 (-3.3A)
None
None
 1.35A 1tsnA-2hmsA:
undetectable		 1tsnA-2hmsA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		6 / 11 GLY A   9
ALA A  11
ASP A  33
ASP A  66
ALA A  89
VAL A 107
 NAI  A 400 (-3.3A)
NAI  A 400 ( 4.3A)
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.7A)
NAI  A 400 ( 4.7A)
 0.50A 1uayA-1ek6A:
17.7		 1uayA-1ek6A:
25.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		8 / 11 GLY A   8
ALA A  10
SER A  11
ASP A  32
ASP A  41
ALA A  70
VAL A  72
VAL A  85
 NAI  A4000 (-3.5A)
NAI  A4000 ( 3.9A)
NAI  A4000 (-2.6A)
NAI  A4000 (-2.7A)
NAI  A4000 (-4.1A)
NAI  A4000 (-3.7A)
NAI  A4000 (-4.9A)
NAI  A4000 (-4.4A)
 0.70A 1uayA-2dknA:
25.5		 1uayA-2dknA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		7 / 11 GLY A  14
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 3.7A)
NAI  A 301 (-4.0A)
 0.53A 1uayA-4ituA:
30.6		 1uayA-4ituA:
30.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		7 / 11 GLY A  20
ALA A  22
ASP A  44
ASP A  66
VAL A  67
ALA A  94
VAL A 116
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.2A)
NAI  A 301 (-2.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.7A)
NAI  A 301 ( 4.2A)
 0.33A 1uayA-4nbuA:
31.9		 1uayA-4nbuA:
35.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		8 / 11 GLY A  13
ALA A  15
SER A  16
ASP A  37
ASP A  63
ALA A  92
VAL A  94
VAL A 114
 NAI  A 401 (-2.9A)
NAI  A 401 ( 4.3A)
NAI  A 401 (-2.9A)
NAI  A 401 (-2.6A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.6A)
NAI  A 401 (-4.5A)
NAI  A 401 ( 4.5A)
 0.55A 1uayA-4y9dA:
25.5		 1uayA-4y9dA:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		7 / 11 GLY A  13
SER A  16
ASP A  38
ASP A  64
ALA A  92
VAL A  94
VAL A 114
 NAI  A 500 (-3.4A)
NAI  A 500 (-3.0A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
NAI  A 500 ( 4.7A)
NAI  A 500 (-3.7A)
 0.64A 1uayA-4yacA:
25.5		 1uayA-4yacA:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		7 / 11 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  64
VAL A  65
ALA A  92
 NAI  A 500 (-2.8A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.7A)
 0.66A 1uayA-4yaiA:
25.7		 1uayA-4yaiA:
28.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		6 / 11 GLY A  26
ALA A  28
ASP A  50
ASP A  76
VAL A  77
ALA A 104
 NAI  A 301 (-3.3A)
NAI  A 301 ( 3.8A)
NAI  A 301 (-2.9A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.6A)
 0.46A 1uayA-5h5xA:
30.8		 1uayA-5h5xA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 11 GLY A  13
SER A  16
ASP A  37
ASP A  60
ALA A  88
VAL A 111
 NAI  A 301 (-3.1A)
NAI  A 301 (-2.5A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
NAI  A 301 (-4.2A)
 0.55A 1uayA-6b9uA:
30.6		 1uayA-6b9uA:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		6 / 10 GLY A   9
ALA A  11
ASP A  33
ASP A  66
ALA A  89
VAL A 107
 NAI  A 400 (-3.3A)
NAI  A 400 ( 4.3A)
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.7A)
NAI  A 400 ( 4.7A)
 0.53A 1uayB-1ek6A:
18.0		 1uayB-1ek6A:
25.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		8 / 10 GLY A   8
ALA A  10
SER A  11
ASP A  32
ASP A  41
ALA A  70
VAL A  72
VAL A  85
 NAI  A4000 (-3.5A)
NAI  A4000 ( 3.9A)
NAI  A4000 (-2.6A)
NAI  A4000 (-2.7A)
NAI  A4000 (-4.1A)
NAI  A4000 (-3.7A)
NAI  A4000 (-4.9A)
NAI  A4000 (-4.4A)
 0.71A 1uayB-2dknA:
25.4		 1uayB-2dknA:
31.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		7 / 10 GLY A  14
ASP A  38
LEU A  39
ASP A  64
VAL A  65
ALA A  92
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 3.7A)
NAI  A 301 (-4.0A)
 0.57A 1uayB-4ituA:
30.6		 1uayB-4ituA:
30.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		7 / 10 GLY A  20
ALA A  22
ASP A  44
ASP A  66
VAL A  67
ALA A  94
VAL A 116
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.2A)
NAI  A 301 (-2.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.7A)
NAI  A 301 ( 4.2A)
 0.31A 1uayB-4nbuA:
32.1		 1uayB-4nbuA:
35.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		8 / 10 GLY A  13
ALA A  15
SER A  16
ASP A  37
ASP A  63
ALA A  92
VAL A  94
VAL A 114
 NAI  A 401 (-2.9A)
NAI  A 401 ( 4.3A)
NAI  A 401 (-2.9A)
NAI  A 401 (-2.6A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.6A)
NAI  A 401 (-4.5A)
NAI  A 401 ( 4.5A)
 0.53A 1uayB-4y9dA:
25.7		 1uayB-4y9dA:
27.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		7 / 10 GLY A  13
SER A  16
ASP A  38
ASP A  64
ALA A  92
VAL A  94
VAL A 114
 NAI  A 500 (-3.4A)
NAI  A 500 (-3.0A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
NAI  A 500 ( 4.7A)
NAI  A 500 (-3.7A)
 0.66A 1uayB-4yacA:
25.7		 1uayB-4yacA:
28.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		7 / 10 GLY A  12
ALA A  14
SER A  15
ASP A  36
ASP A  64
VAL A  65
ALA A  92
 NAI  A 500 (-2.8A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.7A)
 0.62A 1uayB-4yaiA:
26.1		 1uayB-4yaiA:
28.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		6 / 10 GLY A  26
ALA A  28
ASP A  50
ASP A  76
VAL A  77
ALA A 104
 NAI  A 301 (-3.3A)
NAI  A 301 ( 3.8A)
NAI  A 301 (-2.9A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.6A)
 0.44A 1uayB-5h5xA:
31.1		 1uayB-5h5xA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 10 GLY A  13
SER A  16
ASP A  37
ASP A  60
ALA A  88
VAL A 111
 NAI  A 301 (-3.1A)
NAI  A 301 (-2.5A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
NAI  A 301 (-4.2A)
 0.57A 1uayB-6b9uA:
30.7		 1uayB-6b9uA:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4p53 CYCLASE
(Streptomyces
hygroscopicus) 		5 / 10 GLU A 101
VAL A 135
GLY A 134
ASN A 181
HIS A 284
 NAI  A 502 (-2.8A)
NAI  A 502 (-3.6A)
NAI  A 502 (-3.1A)
NAI  A 502 (-3.7A)
ZN  A 501 (-3.3A)
 1.29A 1v3qE-4p53A:
2.7		 1v3qE-4p53A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.85A 1vq1B-4n54A:
5.9		 1vq1B-4n54A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 10 ARG A  65
GLU A 216
GLY A  22
GLY A  20
ALA A  28
 None
None
None
NAI  A1306 (-3.4A)
None
 0.97A 1x7pA-1gz6A:
2.9
1x7pB-1gz6A:
2.2		 1x7pA-1gz6A:
22.88
1x7pB-1gz6A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 GLY A  97
ASN A 118
ILE A  69
PHE A 122
 NAI  A 302 (-3.5A)
None
NAI  A 302 (-3.8A)
None
 0.85A 1xf1B-1ahiA:
1.9		 1xf1B-1ahiA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		4 / 6 ALA A 135
SER A 136
THR A 204
ASN A 202
 NAI  A 301 (-3.7A)
None
NAI  A 301 (-4.4A)
None
 1.07A 1yvpB-1o9bA:
undetectable		 1yvpB-1o9bA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZQ9_A_SAMA4000_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  16
LEU A  39
LEU A  43
ASP A  64
VAL A  65
 NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.97A 1zq9A-4ituA:
6.0		 1zq9A-4ituA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		6 / 12 GLY A  14
GLY A  16
LEU A  39
LEU A  43
ASP A  64
VAL A  65
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.84A 1zq9B-4ituA:
6.0		 1zq9B-4ituA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  16
LEU A  39
LEU A  43
ASP A  64
ASN A  91
 NAI  A 301 ( 4.6A)
NAI  A 301 (-3.9A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
 0.84A 1zq9B-4ituA:
6.0		 1zq9B-4ituA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1H_A_GBNA502_1
(BRANCHED CHAIN
AMINOTRANSFERASE)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 8 GLY A 161
THR A 160
ALA A 159
VAL A  26
 None
None
NAI  A 502 ( 4.7A)
None
 0.88A 2a1hA-4im7A:
undetectable
2a1hB-4im7A:
undetectable		 2a1hA-4im7A:
21.24
2a1hB-4im7A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1N_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 11 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.24A 2a1nA-4yacA:
undetectable		 2a1nA-4yacA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.77A 2avvA-1ek6A:
undetectable		 2avvA-1ek6A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		5 / 10 ALA A 249
ILE A  81
GLY A 153
HIS A 186
ASP A 134
 None
None
None
NAI  A 401 ( 3.4A)
None
 1.40A 2b17A-4plfA:
undetectable		 2b17A-4plfA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B17_A_DIFA701_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 4plh MALATE DEHYDROGENASE
(Apicomplexa) 		5 / 10 ALA A 240
ILE A  77
GLY A 144
HIS A 177
ASP A 125
 None
None
None
NAI  A 403 ( 3.7A)
None
 1.45A 2b17A-4plhA:
undetectable		 2b17A-4plhA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  13
GLY A  21
VAL A  38
ASP A  63
ILE A  64
 NAI  A 401 (-2.9A)
None
NAI  A 401 ( 4.3A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.9A)
 0.78A 2b25A-4y9dA:
7.1		 2b25A-4y9dA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		6 / 12 GLY A  13
GLY A  15
GLY A  21
ARG A  40
HIS A  43
ASP A  64
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
None
None
NAI  A 500 (-3.5A)
NAI  A 500 (-3.6A)
 1.22A 2b25A-4yacA:
6.7		 2b25A-4yacA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  12
GLY A  20
ARG A  38
HIS A  41
ASP A  64
 NAI  A 500 (-2.8A)
None
None
NAI  A 500 (-3.9A)
NAI  A 500 (-3.0A)
 1.01A 2b25A-4yaiA:
7.0		 2b25A-4yaiA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 12 GLY A  13
GLY A  15
GLY A  21
MET A  22
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
None
None
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 1.07A 2b25A-6b9uA:
6.0		 2b25A-6b9uA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  15
GLY A  21
ARG A  40
HIS A  43
ASP A  64
 NAI  A 500 ( 4.2A)
None
None
NAI  A 500 (-3.5A)
NAI  A 500 (-3.6A)
 1.16A 2b25B-4yacA:
6.4		 2b25B-4yacA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A  15
GLY A  21
MET A  22
ASP A  60
ILE A  61
 NAI  A 301 ( 4.3A)
None
None
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 1.12A 2b25B-6b9uA:
5.7		 2b25B-6b9uA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		4 / 8 ASP X 250
LEU X  90
TYR X 141
LEU X 280
 NAI  X 401 ( 4.5A)
None
None
None
 1.00A 2bfpC-3fmxX:
2.7		 2bfpC-3fmxX:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		4 / 8 ASP X 250
LEU X  90
TYR X 141
LEU X 280
 NAI  X 401 ( 4.5A)
None
None
None
 0.97A 2bfpD-3fmxX:
undetectable		 2bfpD-3fmxX:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 194
GLY A  13
ASP A  37
ARG A  38
ASP A  60
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
 1.25A 2bm9B-6b9uA:
5.3		 2bm9B-6b9uA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 194
GLY A  13
ASP A  37
ASP A  60
ASN A  87
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
 1.24A 2bm9B-6b9uA:
5.3		 2bm9B-6b9uA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
ASP A  42
ASP A  68
ASN A  95
ALA A  96
 NAI  A 302 (-3.6A)
NAI  A 302 (-2.6A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
NAI  A 302 ( 4.3A)
 1.03A 2bm9E-1ahiA:
5.9		 2bm9E-1ahiA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		6 / 12 GLY A  13
ASP A  37
ARG A  38
ASP A  62
ASN A  89
ALA A  90
 NAI  A1270 (-2.9A)
NAI  A1270 (-2.9A)
NAI  A1270 (-4.6A)
NAI  A1270 (-3.1A)
NAI  A1270 (-3.0A)
NAI  A1270 (-3.2A)
 1.18A 2bm9E-1zjyA:
5.6		 2bm9E-1zjyA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ASP A  38
ASP A  64
ASN A  91
ALA A  92
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
NAI  A 301 ( 3.7A)
 0.97A 2bm9E-4ituA:
4.8		 2bm9E-4ituA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 12 GLY A  20
ASP A  44
ASP A  66
ASN A  93
ALA A  94
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.9A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
 0.90A 2bm9E-4nbuA:
5.6		 2bm9E-4nbuA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  12
ASP A  36
ASP A  64
ASN A  91
ALA A  92
 NAI  A 500 (-2.8A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-2.9A)
NAI  A 500 (-3.7A)
 1.03A 2bm9E-4yaiA:
5.4		 2bm9E-4yaiA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 GLY A  26
ASP A  50
ASP A  76
ASN A 103
ALA A 104
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.9A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.6A)
 0.96A 2bm9E-5h5xA:
5.5		 2bm9E-5h5xA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 12 GLY A  13
ASP A  37
ARG A  38
ASP A  60
ASN A  87
ALA A  88
 NAI  A 301 (-3.1A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.7A)
 0.92A 2bm9E-6b9uA:
5.6		 2bm9E-6b9uA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 12 LEU A 194
GLY A  13
ARG A  38
ASP A  60
ASN A  87
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.3A)
NAI  A 301 (-3.7A)
 1.09A 2bm9E-6b9uA:
5.6		 2bm9E-6b9uA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		5 / 12 LEU A 106
LEU A 110
GLY A 161
ASP A 149
ALA A 159
 None
None
None
None
NAI  A 502 ( 4.7A)
 1.07A 2bm9F-4im7A:
3.2		 2bm9F-4im7A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 GLY A  13
ARG A  38
ASP A  62
SER A  64
ALA A  90
 NAI  A1270 (-2.9A)
NAI  A1270 (-4.6A)
NAI  A1270 (-3.1A)
None
NAI  A1270 (-3.2A)
 1.06A 2br4C-1zjyA:
6.0		 2br4C-1zjyA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		6 / 12 LEU A 194
GLY A  13
ARG A  38
ASP A  60
SER A  62
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 ( 4.4A)
NAI  A 301 (-3.7A)
 1.12A 2br4C-6b9uA:
5.1		 2br4C-6b9uA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 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_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 194
GLY A  13
ARG A  38
ASP A  60
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
 0.85A 2br4E-6b9uA:
undetectable		 2br4E-6b9uA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 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_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 194
GLY A  13
ARG A  38
ASP A  60
ALA A  88
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.7A)
 0.88A 2br4F-6b9uA:
5.3		 2br4F-6b9uA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 7 ARG B  97
SER B 142
ARG B 155
GLN B 183
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.9A)
NAI  B 301 (-3.2A)
 0.56A 2c8aA-4xshB:
26.7		 2c8aA-4xshB:
36.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 7 SER B 142
SER B 144
GLN B 183
GLU B 185
 NAI  B 301 (-3.3A)
None
NAI  B 301 (-3.9A)
NAI  B 301 (-3.2A)
 0.69A 2c8aA-4xshB:
26.7		 2c8aA-4xshB:
36.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		5 / 7 ARG A 297
SER A 340
PHE A 351
ARG A 354
GLU A 382
 NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.0A)
NAI  A 501 (-3.1A)
 0.78A 2c8aA-5h04A:
20.3		 2c8aA-5h04A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5zj5 -
(-) 		4 / 7 ARG A  81
SER A 121
GLN A 162
GLU A 164
 NAI  A 301 (-2.7A)
NAI  A 301 (-2.7A)
GDP  A 302 ( 3.2A)
NAI  A 301 (-3.5A)
 0.57A 2c8aA-5zj5A:
3.0		 2c8aA-5zj5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5zj5 -
(-) 		4 / 7 SER A 121
SER A 123
GLN A 162
GLU A 164
 NAI  A 301 (-2.7A)
None
GDP  A 302 ( 3.2A)
NAI  A 301 (-3.5A)
 0.65A 2c8aA-5zj5A:
3.0		 2c8aA-5zj5A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 7 ARG B  97
GLY B  98
SER B 142
ARG B 155
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-4.3A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.2A)
 0.47A 2c8aB-4xshB:
26.7		 2c8aB-4xshB:
36.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		5 / 7 ARG A 297
SER A 340
PHE A 351
ARG A 354
GLU A 382
 NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.0A)
NAI  A 501 (-3.1A)
 0.86A 2c8aB-5h04A:
20.0		 2c8aB-5h04A:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C8A_C_NCAC1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		4 / 6 ARG B  97
SER B 142
ARG B 155
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.2A)
 0.38A 2c8aC-4xshB:
26.3		 2c8aC-4xshB:
36.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_C_NCAC1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		5 / 6 ARG A 297
SER A 340
PHE A 351
ARG A 354
GLU A 382
 NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.0A)
NAI  A 501 (-3.1A)
 0.76A 2c8aC-5h04A:
19.8		 2c8aC-5h04A:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 7 ARG B  97
GLY B  98
SER B 142
ARG B 155
GLU B 185
 NAI  B 301 ( 2.7A)
NAI  B 301 (-4.3A)
NAI  B 301 (-3.3A)
NAI  B 301 (-3.1A)
NAI  B 301 (-3.2A)
 0.36A 2c8aD-4xshB:
26.6		 2c8aD-4xshB:
36.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		5 / 7 ARG A 297
SER A 340
PHE A 351
ARG A 354
GLU A 382
 NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.0A)
NAI  A 501 (-3.1A)
 0.75A 2c8aD-5h04A:
20.3		 2c8aD-5h04A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 THR A  91
VAL A  18
GLY A  21
ASP A  38
VAL A  11
 None
NAI  A 500 (-4.0A)
None
NAI  A 500 (-2.6A)
None
 1.22A 2cp4A-4yacA:
undetectable		 2cp4A-4yacA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 4cuk D-LACTATE
DEHYDROGENASE
(Salmonella
enterica) 		4 / 8 GLY A 153
THR A 179
ALA A 180
ALA A 181
 NAI  A1331 (-3.2A)
None
None
None
 0.57A 2ej3A-4cukA:
undetectable		 2ej3A-4cukA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EZ7_A_DHIA301_0
(CARBONIC ANHYDRASE 2)		 3adp LAMBDA-CRYSTALLIN
(Oryctolagus
cuniculus) 		4 / 6 HIS A 145
ASN A 196
GLN A 199
PRO A 149
 NAI  A1001 (-4.6A)
None
None
None
 1.30A 2ez7A-3adpA:
undetectable		 2ez7A-3adpA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		5 / 12 GLY A  96
ASP A 117
VAL A 132
VAL A 130
ILE A 115
 None
NAI  A 301 (-2.8A)
None
None
None
 1.06A 2f8gA-3wghA:
undetectable		 2f8gA-3wghA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 11 ASN A  91
GLY A 235
ILE A 191
THR A 142
THR A 251
 NAI  A 500 (-2.9A)
None
NAI  A 500 (-4.5A)
NAI  A 500 (-3.2A)
None
 1.24A 2f9wA-4yaiA:
2.3
2f9wB-4yaiA:
2.1		 2f9wA-4yaiA:
25.86
2f9wB-4yaiA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 12 GLY A 101
SER A  75
GLY A 170
LEU A 171
LEU A 174
 NAI  A1306 (-3.6A)
NAI  A1306 (-3.2A)
None
None
None
 0.92A 2hw2A-1gz6A:
0.0		 2hw2A-1gz6A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		4 / 7 ALA A 135
SER A 136
THR A 204
ASN A 202
 NAI  A 301 (-3.7A)
None
NAI  A 301 (-4.4A)
None
 0.97A 2i91A-1o9bA:
undetectable		 2i91A-1o9bA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		4 / 7 ALA A 135
SER A 136
THR A 204
ASN A 202
 NAI  A 301 (-3.7A)
None
NAI  A 301 (-4.4A)
None
 0.96A 2i91B-1o9bA:
undetectable		 2i91B-1o9bA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.82A 2idwB-1ek6A:
undetectable		 2idwB-1ek6A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_2
(PROTEASE)		 3iqd OCTOPINE
DEHYDROGENASE
(Pecten
maximus) 		5 / 12 GLY B  13
ALA B  14
VAL B  31
VAL B   5
VAL B   7
 NAI  B 405 (-3.5A)
None
None
None
None
 0.76A 2ieoB-3iqdB:
undetectable		 2ieoB-3iqdB:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1e3e ALCOHOL
DEHYDROGENASE, CLASS
II
(Mus
musculus) 		5 / 12 PHE A  93
ALA A 273
ALA A 298
GLY A 208
GLY A 203
 None
NAI  A 377 ( 3.9A)
None
None
NAI  A 377 (-3.4A)
 1.15A 2igtA-1e3eA:
5.4		 2igtA-1e3eA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 ASP A  42
ASP A  46
ASP A  68
 NAI  A 302 (-2.6A)
None
NAI  A 302 (-3.6A)
 0.69A 2igtA-1ahiA:
8.4		 2igtA-1ahiA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_B_SAMB1002_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1e3e ALCOHOL
DEHYDROGENASE, CLASS
II
(Mus
musculus) 		5 / 12 PHE A  93
ALA A 273
ALA A 298
GLY A 208
GLY A 203
 None
NAI  A 377 ( 3.9A)
None
None
NAI  A 377 (-3.4A)
 1.15A 2igtB-1e3eA:
7.3		 2igtB-1e3eA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 ASP A  42
ASP A  46
ASP A  68
 NAI  A 302 (-2.6A)
None
NAI  A 302 (-3.6A)
 0.69A 2igtB-1ahiA:
8.3		 2igtB-1ahiA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 SER A 114
ILE A 115
ALA A 116
TYR A 153
LEU A 190
 NAI  A4000 (-3.5A)
None
None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.7A)
 0.48A 2japA-2dknA:
25.6		 2japA-2dknA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_B_J01B1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 1c1d L-PHENYLALANINE
DEHYDROGENASE
(Rhodococcus
sp.) 		5 / 12 ILE A 315
ALA A 160
ALA A 282
THR A 153
LEU A 190
 None
None
None
NAI  A 360 (-3.2A)
None
 1.26A 2japB-1c1dA:
7.1		 2japB-1c1dA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_B_J01B1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 SER A 114
ILE A 115
ALA A 116
TYR A 153
LEU A 190
 NAI  A4000 (-3.5A)
None
None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.7A)
 0.47A 2japB-2dknA:
25.6		 2japB-2dknA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_C_J01C1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 SER A 114
ILE A 115
ALA A 116
TYR A 153
LEU A 190
 NAI  A4000 (-3.5A)
None
None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.7A)
 0.50A 2japC-2dknA:
25.6		 2japC-2dknA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 1c1d L-PHENYLALANINE
DEHYDROGENASE
(Rhodococcus
sp.) 		5 / 12 ILE A 315
ALA A 160
ALA A 282
THR A 153
LEU A 190
 None
None
None
NAI  A 360 (-3.2A)
None
 1.25A 2japD-1c1dA:
7.2		 2japD-1c1dA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JAP_D_J01D1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 SER A 114
ILE A 115
ALA A 116
TYR A 153
LEU A 190
 NAI  A4000 (-3.5A)
None
None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.7A)
 0.48A 2japD-2dknA:
25.6		 2japD-2dknA:
26.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_E_CLME1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 177
THR A 146
ILE A 153
GLY A 149
 NAI  A1001 (-3.5A)
None
None
None
 0.82A 2jkjE-3afoA:
undetectable		 2jkjE-3afoA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY
(Paracoccus
laeviglucosivora
ns) 		4 / 5 TRP A  67
ALA A  95
LEU A  87
ALA A  94
 None
None
NAI  A 401 (-4.8A)
None
 1.08A 2jstA-5yapA:
undetectable
2jstB-5yapA:
undetectable		 2jstA-5yapA:
22.22
2jstB-5yapA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_3
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.83A 2nmzB-1ek6A:
undetectable		 2nmzB-1ek6A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ILE A 120
LEU A 116
ASN A 115
ASN A 121
ILE A 114
 None
None
NAI  A 500 ( 4.4A)
None
NAI  A 500 (-3.4A)
 1.03A 2nnhA-4yaiA:
undetectable		 2nnhA-4yaiA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 ILE A 120
LEU A 116
ASN A 115
ASN A 121
ILE A 114
 None
None
NAI  A 500 ( 4.4A)
None
NAI  A 500 (-3.4A)
 1.05A 2nnhB-4yaiA:
undetectable		 2nnhB-4yaiA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 THR A 188
ASN A  86
VAL A 220
ALA A 221
VAL A 110
 NAI  A4000 (-2.7A)
NAI  A4000 ( 4.8A)
None
None
None
 1.04A 2nniA-2dknA:
undetectable		 2nniA-2dknA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_1
(PROTEASE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 12 GLY A 120
ASP A  66
GLY A  20
VAL A  77
VAL A  73
 None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.3A)
None
None
 0.95A 2nnkA-4nbuA:
undetectable		 2nnkA-4nbuA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_3
(PROTEASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 GLY A 131
ASP A  76
GLY A  26
VAL A  87
VAL A  83
 None
NAI  A 301 (-4.0A)
NAI  A 301 (-3.3A)
None
None
 0.96A 2nnkB-5h5xA:
undetectable		 2nnkB-5h5xA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_B_SAMB300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 162
GLY A 164
THR A 146
ILE A 120
VAL A  96
 None
NAI  A1000 ( 4.1A)
None
None
None
 0.74A 2oxtB-2x0iA:
4.9		 2oxtB-2x0iA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		4 / 4 SER A 228
GLY A 231
HIS A 125
ASP A 202
 NAI  A 301 (-2.3A)
NAI  A 301 ( 4.3A)
None
None
 1.01A 2oxtC-4q9nA:
4.8		 2oxtC-4q9nA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
NAI  A1000 ( 4.1A)
None
 1.01A 2pkkA-2x0iA:
6.1		 2pkkA-2x0iA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 12 ALA A  49
GLY A  20
GLY A  24
ALA A  43
LEU A  76
 None
NAI  A 301 (-3.3A)
NAI  A 301 (-3.5A)
None
None
 1.11A 2plwA-4nbuA:
3.6		 2plwA-4nbuA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 12 ALA A  53
GLY A  20
GLY A  24
ALA A  43
LEU A  76
 None
NAI  A 301 (-3.3A)
NAI  A 301 (-3.5A)
None
None
 1.06A 2plwA-4nbuA:
3.6		 2plwA-4nbuA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		5 / 12 ALA A  27
GLY A  17
GLY A  21
TRP A  24
ILE A  48
 None
NAI  A 301 (-3.8A)
NAI  A 301 (-3.2A)
None
None
 1.07A 2plwA-4q9nA:
8.3		 2plwA-4q9nA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 ASP A  67
THR A  81
PRO A  82
 None
NAI  A 500 (-4.7A)
NAI  A 500 (-4.5A)
 0.65A 2pynB-3q2iA:
undetectable		 2pynB-3q2iA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 ASP A  67
THR A  81
PRO A  82
 None
NAI  A 500 (-4.7A)
NAI  A 500 (-4.5A)
 0.66A 2q64B-3q2iA:
undetectable		 2q64B-3q2iA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 ASP A  67
THR A  81
PRO A  82
 None
NAI  A 500 (-4.7A)
NAI  A 500 (-4.5A)
 0.66A 2qakB-3q2iA:
undetectable		 2qakB-3q2iA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		4 / 8 THR A 108
VAL A 155
THR A 156
VAL A 163
 None
None
NAI  A 601 (-3.0A)
None
 0.92A 2qbmA-3meqA:
undetectable		 2qbmA-3meqA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 ILE A  22
ALA A  21
GLY A  17
ILE A 222
GLY A  13
 None
None
NAI  A1270 (-3.9A)
None
NAI  A1270 (-2.9A)
 0.75A 2qe6A-1zjyA:
6.7		 2qe6A-1zjyA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  23
ALA A  22
GLY A  18
ILE A 226
GLY A  14
 None
None
NAI  A 301 (-3.5A)
None
NAI  A 301 (-3.3A)
 0.78A 2qe6A-4ituA:
4.5		 2qe6A-4ituA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 ILE A  22
ALA A  21
GLY A  17
ILE A 222
GLY A  13
 None
None
NAI  A1270 (-3.9A)
None
NAI  A1270 (-2.9A)
 0.78A 2qe6B-1zjyA:
6.5		 2qe6B-1zjyA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ILE A  23
ALA A  22
GLY A  18
ILE A 226
GLY A  14
 None
None
NAI  A 301 (-3.5A)
None
NAI  A 301 (-3.3A)
 0.88A 2qe6B-4ituA:
6.5		 2qe6B-4ituA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ALA A  35
GLY A   9
ASP A  61
VAL A  75
GLY A  12
 None
None
None
NAI  A 401 (-4.6A)
NAI  A 401 (-3.5A)
 1.04A 2qe6B-4n54A:
3.4		 2qe6B-4n54A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		5 / 12 VAL A 185
ILE A 177
GLY A 178
GLY A 179
VAL A 310
 None
None
NAI  A 601 (-3.3A)
NAI  A 601 (-3.5A)
None
 0.97A 2r5pA-3meqA:
undetectable		 2r5pA-3meqA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 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_D_MK1D902_1
(PROTEASE)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		5 / 12 VAL A 185
ILE A 177
GLY A 178
GLY A 179
VAL A 310
 None
None
NAI  A 601 (-3.3A)
NAI  A 601 (-3.5A)
None
 0.97A 2r5pC-3meqA:
undetectable		 2r5pC-3meqA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 ASP A  32
THR A  50
GLY A  47
GLY A  46
THR A  44
 NAI  A4000 (-2.7A)
None
None
None
None
 0.99A 2uvnA-2dknA:
undetectable		 2uvnA-2dknA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 7 PHE A 126
ILE A  37
ILE A  94
GLY A 122
 None
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.7A)
None
 0.96A 2v0mB-4yaiA:
undetectable		 2v0mB-4yaiA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 ALA A  92
ALA A  23
GLY A  21
GLY A  15
ILE A  36
 NAI  A 500 ( 4.1A)
None
None
NAI  A 500 ( 4.2A)
None
 1.12A 2v7bB-4yacA:
3.8		 2v7bB-4yacA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 GLY A  13
GLY A  15
ILE A  37
ASN A  56
ALA A  57
 NAI  A 601 (-3.3A)
NAI  A 601 (-3.2A)
NAI  A 601 (-3.8A)
NAI  A 601 (-3.6A)
NAI  A 601 (-3.8A)
 1.08A 2vdvE-2hmsA:
6.4		 2vdvE-2hmsA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 11 GLY A  13
GLY A  15
ILE A  37
ASN A  56
ALA A  57
 NAI  A 601 (-3.3A)
NAI  A 601 (-3.2A)
NAI  A 601 (-3.8A)
NAI  A 601 (-3.6A)
NAI  A 601 (-3.8A)
 1.09A 2vdvF-2hmsA:
6.4		 2vdvF-2hmsA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 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_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 VAL A  73
GLY A  11
ALA A  12
MET A  13
 NAI  A 401 (-4.6A)
NAI  A 401 (-3.3A)
NAI  A 401 (-3.6A)
NAI  A 401 (-4.2A)
 0.89A 2wekB-4mioA:
6.6		 2wekB-4mioA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		4 / 8 ALA A  49
ALA A  53
THR A  57
LEU A  39
 NAI  A 500 ( 3.9A)
None
None
None
 1.02A 2wx2B-3q2iA:
undetectable		 2wx2B-3q2iA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 1.02A 2wx2B-3q2kA:
undetectable		 2wx2B-3q2kA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 11 ILE A  18
GLY A  19
PHE A  11
GLY A  92
PRO A 182
 NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.6A)
NAI  A 850 (-3.8A)
 1.02A 2y7kA-1mg5A:
1.1		 2y7kA-1mg5A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 ILE A  18
GLY A  19
PHE A  11
GLY A  92
PRO A 182
 NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.6A)
NAI  A 850 (-3.8A)
 1.12A 2y7kC-1mg5A:
undetectable		 2y7kC-1mg5A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 ILE A  18
GLY A  19
PHE A  11
GLY A  92
PRO A 182
 NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.6A)
NAI  A 850 (-3.8A)
 1.13A 2y7kD-1mg5A:
0.4		 2y7kD-1mg5A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 10 ILE A 137
GLY A  92
GLY A  14
THR A  22
PRO A 182
 NAI  A 850 (-4.1A)
NAI  A 850 (-4.6A)
None
None
NAI  A 850 (-3.8A)
 1.26A 2y7wB-1mg5A:
0.0		 2y7wB-1mg5A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 1c1d L-PHENYLALANINE
DEHYDROGENASE
(Rhodococcus
sp.) 		5 / 12 GLY A 187
GLY A 182
LEU A 190
ALA A 260
ALA A 154
 None
NAI  A 360 (-3.6A)
None
NAI  A 360 (-3.7A)
None
 0.92A 2yqzA-1c1dA:
7.3		 2yqzA-1c1dA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 1c1d L-PHENYLALANINE
DEHYDROGENASE
(Rhodococcus
sp.) 		5 / 12 GLY A 187
GLY A 182
LEU A 190
ALA A 260
ALA A 154
 None
NAI  A 360 (-3.6A)
None
NAI  A 360 (-3.7A)
None
 0.92A 2yqzB-1c1dA:
7.3		 2yqzB-1c1dA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		4 / 8 ALA A 223
TYR A  22
ILE A 221
HIS A 125
 NAI  A 301 (-3.7A)
None
None
None
 0.93A 2zm8A-4q9nA:
undetectable		 2zm8A-4q9nA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		4 / 8 ALA A 223
TYR A  22
ILE A 221
HIS A 125
 NAI  A 301 (-3.7A)
None
None
None
 0.93A 2zmaA-4q9nA:
undetectable		 2zmaA-4q9nA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 6 TYR A 247
ARG A 290
PHE A 287
PHE A 295
 2H3  A 402 (-4.5A)
None
NAI  A 401 ( 3.7A)
NAI  A 401 (-4.9A)
 0.97A 3af3A-4n54A:
undetectable		 3af3A-4n54A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 THR A 228
SER A 174
LYS A 172
 NAI  A1001 (-2.9A)
NAI  A1001 (-4.4A)
NAI  A1001 (-2.8A)
 1.21A 3aocC-1wnbA:
undetectable		 3aocC-1wnbA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		4 / 8 LEU A 190
SER A 194
THR A 204
ALA A 185
 NAI  A4000 (-3.7A)
None
None
NAI  A4000 (-4.4A)
 1.00A 3ax9A-2dknA:
undetectable		 3ax9A-2dknA:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 ASP A  42
ILE A  43
ASN A  44
ALA A  47
ASP A  68
 NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 ( 4.9A)
NAI  A 302 (-3.6A)
 0.59A 3ay0A-1ahiA:
6.9		 3ay0A-1ahiA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 10 ASP A  44
ASN A  46
ALA A  22
ASP A  66
VAL A  67
 NAI  A 301 (-2.9A)
None
NAI  A 301 ( 4.2A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.7A)
 0.92A 3ay0A-4nbuA:
6.7		 3ay0A-4nbuA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 ASP A  36
ILE A  37
ALA A  14
ASP A  64
VAL A  65
 NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
 1.15A 3ay0A-4yaiA:
7.4		 3ay0A-4yaiA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 10 ASP A  50
ASN A  52
ALA A  28
ASP A  76
VAL A  77
 NAI  A 301 (-2.9A)
None
NAI  A 301 ( 3.8A)
NAI  A 301 (-4.0A)
NAI  A 301 (-3.7A)
 1.04A 3ay0A-5h5xA:
6.7		 3ay0A-5h5xA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 GLY A  20
ASP A  42
ILE A  43
ASN A  44
ASP A  68
 NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 (-3.6A)
 0.54A 3ay0B-1ahiA:
7.4		 3ay0B-1ahiA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 GLY A  13
ASP A  36
ILE A  37
ASP A  64
VAL A  65
 None
NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 (-3.0A)
NAI  A 500 (-3.7A)
 1.05A 3ay0B-4yaiA:
7.5		 3ay0B-4yaiA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.35A 3bexC-1wnbA:
undetectable
3bexD-1wnbA:
undetectable		 3bexC-1wnbA:
21.47
3bexD-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.35A 3bexC-1wnbA:
undetectable
3bexD-1wnbA:
undetectable		 3bexC-1wnbA:
21.47
3bexD-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.34A 3bexE-1wnbA:
undetectable
3bexF-1wnbA:
undetectable		 3bexE-1wnbA:
21.47
3bexF-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.34A 3bexE-1wnbA:
undetectable
3bexF-1wnbA:
undetectable		 3bexE-1wnbA:
21.47
3bexF-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.33A 3bf1A-1wnbA:
undetectable
3bf1B-1wnbA:
undetectable		 3bf1A-1wnbA:
21.47
3bf1B-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.35A 3bf1C-1wnbA:
undetectable
3bf1D-1wnbA:
undetectable		 3bf1C-1wnbA:
21.47
3bf1D-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.33A 3bf1C-1wnbA:
undetectable
3bf1D-1wnbA:
undetectable		 3bf1C-1wnbA:
21.47
3bf1D-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.33A 3bf1E-1wnbA:
undetectable
3bf1F-1wnbA:
undetectable		 3bf1E-1wnbA:
21.47
3bf1F-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.36A 3bf1E-1wnbA:
undetectable
3bf1F-1wnbA:
undetectable		 3bf1E-1wnbA:
21.47
3bf1F-1wnbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.76A 3bvbB-1ek6A:
undetectable		 3bvbB-1ek6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A  88
ALA A 122
ALA A  35
GLY A  16
THR A  66
 None
None
None
NAI  A 301 ( 4.6A)
NAI  A 301 ( 4.5A)
 1.03A 3c6gA-4ituA:
undetectable		 3c6gA-4ituA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.39A 3ce6A-3q2kA:
4.6		 3ce6A-3q2kA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.40A 3ce6C-3q2kA:
5.9		 3ce6C-3q2kA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 12 GLY A  18
ASP A  44
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-2.9A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 0.58A 3cjtC-3q2iA:
6.1		 3cjtC-3q2iA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 12 GLY A  18
GLY A  20
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-3.4A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 1.04A 3cjtG-3q2iA:
6.1		 3cjtG-3q2iA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKK_A_SAMA301_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 GLY A  13
GLY A  15
ILE A  37
ASN A  56
ALA A  57
 NAI  A 601 (-3.3A)
NAI  A 601 (-3.2A)
NAI  A 601 (-3.8A)
NAI  A 601 (-3.6A)
NAI  A 601 (-3.8A)
 1.15A 3ckkA-2hmsA:
6.9		 3ckkA-2hmsA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		6 / 12 GLY A 173
ALA A 235
ASP A 234
ILE A 241
VAL A 164
ILE A 233
 None
NAI  A 401 (-4.9A)
None
NAI  A 401 ( 4.8A)
None
None
 1.50A 3d1xA-4ilkA:
undetectable		 3d1xA-4ilkA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D4S_A_TIMA401_1
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 THR A 177
ASP A 178
ASN A 275
ASN A 277
TYR A 247
 None
None
NAI  A 920 (-3.1A)
None
None
 1.24A 3d4sA-1o0sA:
undetectable		 3d4sA-1o0sA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 ASN A 275
HIS A 327
ALA A 276
GLY A 320
 None
NAI  A1001 (-4.5A)
None
None
 1.16A 3ddsA-1wnbA:
undetectable		 3ddsA-1wnbA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ALA A  22
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.97A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  64
VAL A  65
VAL A 114
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 (-4.0A)
 0.88A 3dmfA-4ituA:
7.3		 3dmfA-4ituA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DOU_A_SAMA1_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 ASP A  42
ASP A  46
ASP A  68
 NAI  A 302 (-2.6A)
None
NAI  A 302 (-3.6A)
 0.78A 3douA-1ahiA:
8.9		 3douA-1ahiA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_1
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 8 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.88A 3ekpA-1ek6A:
0.0		 3ekpA-1ek6A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_1
(PROTEASE)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 8 GLY A 133
ALA A 132
VAL A 181
GLY A 140
ILE A 139
 NAI  A 301 (-3.0A)
NAI  A 301 (-4.0A)
None
None
None
 1.12A 3ekpA-1o9bA:
undetectable		 3ekpA-1o9bA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_D_017D200_1
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 11 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.87A 3ektC-1ek6A:
undetectable		 3ektC-1ek6A:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKV_A_478A200_1
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 10 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.86A 3ekvA-1ek6A:
undetectable		 3ekvA-1ek6A:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL5_B_1UNB201_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.77A 3el5B-2j6lA:
undetectable		 3el5B-2j6lA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_2
(PROTEASE)		 4xdy KETOL-ACID
REDUCTOISOMERASE
(uncultured
archaeon
GZfos26G2) 		5 / 10 ASP A  72
GLY A  45
PRO A  86
VAL A  89
ILE A  93
 None
None
NAI  A 403 (-3.6A)
NAI  A 403 (-4.8A)
None
 0.79A 3em4V-4xdyA:
undetectable		 3em4V-4xdyA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 LEU A 234
VAL A  18
ILE A 225
TYR A 157
THR A  91
 None
NAI  A 500 (-4.0A)
None
None
None
 1.00A 3fl9B-4yacA:
2.2		 3fl9B-4yacA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 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_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 LEU A 234
VAL A  18
ILE A 225
TYR A 157
THR A  91
 None
NAI  A 500 (-4.0A)
None
None
None
 1.00A 3fl9G-4yacA:
2.5		 3fl9G-4yacA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 12 ILE A  12
GLY A  13
VAL A  35
ILE A  37
ALA A  77
 None
NAI  A 601 (-3.3A)
None
NAI  A 601 (-3.8A)
None
 0.57A 3fpjA-2hmsA:
5.9		 3fpjA-2hmsA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 5 ASN A 275
ASN A 374
HIS A 377
ALA A 328
 NAI  A 920 (-3.1A)
None
None
NAI  A 920 (-3.9A)
 1.45A 3frqA-1o0sA:
undetectable		 3frqA-1o0sA:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.92A 3gguA-2j6lA:
undetectable		 3gguA-2j6lA:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN8_A_DEXA247_1
(GLUCOCORTICOID
RECEPTOR 2)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 ASN A 105
GLN A 266
MET A 258
THR A 137
VAL A  88
 None
None
NAI  A 301 (-3.9A)
None
None
 1.20A 3gn8A-1o9bA:
undetectable		 3gn8A-1o9bA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4uup MALATE DEHYDROGENASE
(synthetic
construct) 		5 / 11 GLY A  11
GLY A  14
GLU A  41
ILE A  42
ILE A 107
 NAI  A 345 (-2.9A)
NAI  A 345 (-3.3A)
NAI  A 345 (-2.3A)
NAI  A 345 (-4.2A)
NAI  A 345 (-3.5A)
 0.62A 3grvA-4uupA:
5.6		 3grvA-4uupA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJO_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P)		 3iqd OCTOPINE
DEHYDROGENASE
(Pecten
maximus) 		4 / 8 VAL B   7
VAL B 157
ASN B  12
GLY B  13
 None
None
NAI  B 405 (-3.7A)
NAI  B 405 (-3.5A)
 0.89A 3hjoB-3iqdB:
undetectable		 3hjoB-3iqdB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 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_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 4xdy KETOL-ACID
REDUCTOISOMERASE
(uncultured
archaeon
GZfos26G2) 		3 / 3 ARG A 120
ILE A  83
THR A  47
 None
None
NAI  A 403 ( 4.5A)
 0.64A 3ia4D-4xdyA:
undetectable		 3ia4D-4xdyA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A  13
GLY A  15
ARG A  38
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 0.98A 3ihtA-6b9uA:
5.1		 3ihtA-6b9uA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 3vdr D-3-HYDROXYBUTYRATE
DEHYDROGENASE
(Alcaligenes
faecalis) 		5 / 12 THR A  10
VAL A 162
GLY A 161
LEU A 113
ILE A  93
 None
None
None
NAI  A 304 ( 4.5A)
None
 1.01A 3ijdA-3vdrA:
2.5		 3ijdA-3vdrA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 10 ILE A 155
SER A 165
LYS A 168
GLY A 154
LEU A 236
 None
None
NAI  A1306 (-2.9A)
None
None
 1.43A 3ik6B-1gz6A:
0.0
3ik6E-1gz6A:
0.0		 3ik6B-1gz6A:
21.97
3ik6E-1gz6A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 SER A 193
LEU A 186
ILE A  21
SER A  15
GLY A  18
 NAI  A 500 (-2.7A)
None
None
NAI  A 500 (-2.6A)
None
 1.32A 3ik6B-4yaiA:
undetectable
3ik6E-4yaiA:
undetectable		 3ik6B-4yaiA:
21.50
3ik6E-4yaiA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 GLY A  13
SER A  16
ASP A  37
ASP A  63
ILE A  64
 NAI  A 401 (-2.9A)
NAI  A 401 (-2.9A)
NAI  A 401 (-2.6A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.9A)
 0.82A 3iv6B-4y9dA:
7.7		 3iv6B-4y9dA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 ILE A  14
GLY A  15
GLY A  12
ALA A  38
ALA A  89
 NAI  A 400 (-3.9A)
None
NAI  A 400 (-3.3A)
NAI  A 400 (-3.4A)
NAI  A 400 (-3.7A)
 0.92A 3jb2A-1ek6A:
4.5		 3jb2A-1ek6A:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		4 / 4 GLY A 259
ASP A 234
GLY A 168
THR A 175
 None
None
NAI  A 401 (-3.5A)
None
 1.07A 3k4vC-4ilkA:
undetectable		 3k4vC-4ilkA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		4 / 8 ALA A  49
ALA A  53
THR A  57
LEU A  39
 NAI  A 500 ( 3.9A)
None
None
None
 0.90A 3khmA-3q2iA:
undetectable		 3khmA-3q2iA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 0.89A 3khmA-3q2kA:
undetectable		 3khmA-3q2kA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 11 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.31A 3ko0A-3fmxX:
undetectable
3ko0B-3fmxX:
0.0
3ko0C-3fmxX:
undetectable
3ko0D-3fmxX:
undetectable		 3ko0A-3fmxX:
13.35
3ko0B-3fmxX:
13.35
3ko0C-3fmxX:
13.35
3ko0D-3fmxX:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_G_TFPG202_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 10 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.38A 3ko0E-3fmxX:
undetectable
3ko0F-3fmxX:
undetectable
3ko0G-3fmxX:
0.0
3ko0H-3fmxX:
undetectable		 3ko0E-3fmxX:
13.35
3ko0F-3fmxX:
13.35
3ko0G-3fmxX:
13.35
3ko0H-3fmxX:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.97A 3ko0B-4n54A:
undetectable
3ko0J-4n54A:
undetectable		 3ko0B-4n54A:
13.88
3ko0J-4n54A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 GLY A  14
MET A 183
PHE A 170
PHE A 167
 NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
NAI  A 401 (-4.1A)
None
 0.88A 3ko0M-4n54A:
undetectable
3ko0P-4n54A:
undetectable		 3ko0M-4n54A:
13.88
3ko0P-4n54A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_O_TFPO202_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 11 SER X 268
PHE X 281
GLU X 282
ASP X 250
SER X 253
 None
None
NAI  X 401 ( 3.2A)
NAI  X 401 ( 4.5A)
None
 1.36A 3ko0O-3fmxX:
undetectable
3ko0P-3fmxX:
undetectable
3ko0Q-3fmxX:
undetectable
3ko0R-3fmxX:
undetectable		 3ko0O-3fmxX:
13.35
3ko0P-3fmxX:
13.35
3ko0Q-3fmxX:
13.35
3ko0R-3fmxX:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.92A 3ko0K-4n54A:
undetectable
3ko0S-4n54A:
undetectable		 3ko0K-4n54A:
13.88
3ko0S-4n54A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_T_TFPT201_1
(PROTEIN S100-A4)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 7 PHE A 170
PHE A 167
GLY A  14
MET A 183
 NAI  A 401 (-4.1A)
None
NAI  A 401 (-3.1A)
2H3  A 402 (-3.5A)
 0.99A 3ko0R-4n54A:
undetectable
3ko0T-4n54A:
undetectable		 3ko0R-4n54A:
13.88
3ko0T-4n54A:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		7 / 12 HIS A 105
ILE A  52
THR A  54
ASP A  57
THR A  79
VAL A  82
PRO A 107
 NAI  A 211 ( 4.0A)
AMP  A 200 (-4.0A)
AMP  A 200 (-2.9A)
AMP  A 200 (-2.9A)
AMP  A 200 (-3.5A)
AMP  A 200 ( 4.3A)
AMP  A 200 (-4.7A)
 0.80A 3kpbC-3fhmA:
16.7		 3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		5 / 12 HIS A 105
ILE A 117
ASP A 122
VAL A  16
ILE A  37
 NAI  A 211 ( 4.0A)
NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
 0.88A 3kpbC-3fhmA:
16.7		 3kpbC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3fhm UNCHARACTERIZED
PROTEIN ATU1752
(Agrobacterium
fabrum) 		5 / 12 ILE A 117
ASP A 122
VAL A  16
ILE A  37
VAL A  40
 NAI  A 211 (-4.2A)
NAI  A 211 (-2.8A)
NAI  A 211 (-3.7A)
NAI  A 211 (-3.8A)
NAI  A 211 ( 4.5A)
 0.58A 3kpdC-3fhmA:
17.3		 3kpdC-3fhmA:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_A_URFA254_1
(URIDINE
PHOSPHORYLASE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		4 / 6 GLY A  89
ARG A  38
ILE A 108
VAL A 111
 NAI  A 301 (-3.7A)
NAI  A 301 (-3.4A)
None
NAI  A 301 (-4.2A)
 1.11A 3kvvA-6b9uA:
undetectable		 3kvvA-6b9uA:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 0.96A 3l4dA-3q2kA:
undetectable		 3l4dA-3q2kA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		4 / 7 LEU A  23
LEU A  75
ASN A 102
THR A  78
 None
NAI  A 301 (-4.7A)
None
NAI  A 301 ( 4.4A)
 1.00A 3lm8A-5h5xA:
3.0
3lm8C-5h5xA:
2.8		 3lm8A-5h5xA:
23.61
3lm8C-5h5xA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_A_P77A203_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 10 ASP X 250
SER X 253
GLU X 282
SER X 268
PHE X 281
 NAI  X 401 ( 4.5A)
None
NAI  X 401 ( 3.2A)
None
None
 1.29A 3m0wA-3fmxX:
0.6
3m0wB-3fmxX:
undetectable
3m0wI-3fmxX:
undetectable
3m0wJ-3fmxX:
undetectable		 3m0wA-3fmxX:
13.41
3m0wB-3fmxX:
13.41
3m0wI-3fmxX:
13.41
3m0wJ-3fmxX:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_B_P77B203_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 9 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.32A 3m0wA-3fmxX:
0.6
3m0wB-3fmxX:
undetectable
3m0wC-3fmxX:
undetectable
3m0wD-3fmxX:
undetectable		 3m0wA-3fmxX:
13.41
3m0wB-3fmxX:
13.41
3m0wC-3fmxX:
13.41
3m0wD-3fmxX:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_C_P77C203_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 10 ASP X 250
SER X 253
SER X 268
PHE X 281
GLU X 282
 NAI  X 401 ( 4.5A)
None
None
None
NAI  X 401 ( 3.2A)
 1.34A 3m0wC-3fmxX:
undetectable
3m0wD-3fmxX:
undetectable
3m0wE-3fmxX:
0.7
3m0wF-3fmxX:
0.7		 3m0wC-3fmxX:
13.41
3m0wD-3fmxX:
13.41
3m0wE-3fmxX:
13.41
3m0wF-3fmxX:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_D_P77D203_1
(PROTEIN S100-A4)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 10 SER X 268
PHE X 281
GLU X 282
ASP X 250
SER X 253
 None
None
NAI  X 401 ( 3.2A)
NAI  X 401 ( 4.5A)
None
 1.32A 3m0wA-3fmxX:
0.6
3m0wB-3fmxX:
undetectable
3m0wC-3fmxX:
undetectable
3m0wD-3fmxX:
undetectable		 3m0wA-3fmxX:
13.41
3m0wB-3fmxX:
13.41
3m0wC-3fmxX:
13.41
3m0wD-3fmxX:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 4h8a UREIDOGLYCOLATE
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 ASP A 174
PHE A 123
SER A 117
LEU A  33
 NAI  A 401 (-2.7A)
None
NAI  A 401 ( 4.5A)
None
 1.01A 3m0wE-4h8aA:
undetectable
3m0wF-4h8aA:
undetectable
3m0wG-4h8aA:
undetectable
3m0wH-4h8aA:
undetectable		 3m0wE-4h8aA:
13.89
3m0wF-4h8aA:
13.89
3m0wG-4h8aA:
13.89
3m0wH-4h8aA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDT_B_VORB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		5 / 11 LEU A 176
ILE A 221
ALA A 256
ALA A  27
ALA A 263
 NAI  A 301 (-3.8A)
None
None
None
None
 1.14A 3mdtB-4q9nA:
undetectable		 3mdtB-4q9nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 6 VAL A 162
VAL A 196
ILE A 125
ARG A 170
 None
None
NAI  A 502 (-3.7A)
None
 1.09A 3ms9A-4im7A:
undetectable		 3ms9A-4im7A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 6 VAL A 162
VAL A 196
ILE A 125
ARG A 170
 None
None
NAI  A 502 (-3.7A)
None
 1.08A 3mssA-4im7A:
undetectable		 3mssA-4im7A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 6 VAL A 162
VAL A 196
ILE A 125
ARG A 170
 None
None
NAI  A 502 (-3.7A)
None
 1.11A 3mssC-4im7A:
undetectable		 3mssC-4im7A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		5 / 11 GLN A  46
PRO A  45
ASP A  39
VAL A 113
ILE A 109
 None
None
NAI  A 401 (-2.2A)
None
NAI  A 401 (-3.7A)
 1.20A 3n23A-4plfA:
undetectable		 3n23A-4plfA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4plh MALATE DEHYDROGENASE
(Apicomplexa) 		5 / 11 GLN A  42
PRO A  41
ASP A  35
VAL A 104
ILE A 100
 None
None
NAI  A 403 (-2.8A)
None
NAI  A 403 (-3.7A)
 1.17A 3n23A-4plhA:
undetectable		 3n23A-4plhA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NHX_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 TYR A 234
LEU A 259
SER A  22
PHE A 286
VAL A 280
 NAI  A 301 (-4.4A)
NAI  A 301 (-3.8A)
None
None
None
 1.49A 3nhxA-1o9bA:
0.0		 3nhxA-1o9bA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 11 GLY A  13
ALA A  90
ILE A  11
ALA A  23
ASP A  37
 NAI  A1270 (-2.9A)
NAI  A1270 (-3.2A)
None
None
NAI  A1270 (-2.9A)
 1.08A 3nmuB-1zjyA:
undetectable
3nmuJ-1zjyA:
7.9		 3nmuB-1zjyA:
21.96
3nmuJ-1zjyA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU3_B_478B401_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 11 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.81A 3nu3B-1ek6A:
undetectable		 3nu3B-1ek6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.77A 3nu4B-1ek6A:
undetectable		 3nu4B-1ek6A:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_2
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 10 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.78A 3nu9B-2j6lA:
undetectable		 3nu9B-2j6lA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUJ_B_478B401_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.74A 3nujB-1ek6A:
undetectable		 3nujB-1ek6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.78A 3nuoB-1ek6A:
undetectable		 3nuoB-1ek6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 GLY A 327
SER A 406
ASP A 361
LEU A 359
ALA A 401
 NAI  A 920 (-3.5A)
NAI  A 920 ( 4.7A)
NAI  A 920 (-4.5A)
None
None
 1.28A 3ou6C-1o0sA:
undetectable		 3ou6C-1o0sA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 GLY A  17
ILE A  21
ASP A  43
ASN A  45
LEU A  64
 NAI  A 500 (-3.6A)
NAI  A 500 (-3.6A)
NAI  A 500 (-2.7A)
None
None
 1.05A 3q87B-3q2kA:
5.6		 3q87B-3q2kA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
ILE A  23
ASP A  38
LEU A  39
ASP A  64
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-2.8A)
NAI  A 301 (-3.9A)
NAI  A 301 (-3.6A)
 0.49A 3q87B-4ituA:
6.6		 3q87B-4ituA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 GLY A  26
ILE A  31
ASP A  50
ASN A  52
ASP A  76
 NAI  A 301 (-3.3A)
NAI  A 301 (-4.2A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-4.0A)
 1.14A 3q87B-5h5xA:
6.6		 3q87B-5h5xA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 12 THR A 205
ILE A  31
ASP A  50
ASN A  52
ASP A  76
 NAI  A 301 (-3.4A)
NAI  A 301 (-4.2A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-4.0A)
 1.13A 3q87B-5h5xA:
6.6		 3q87B-5h5xA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 11 TYR A 164
ILE A 119
GLY A 101
ALA A 100
VAL A 130
 NAI  A1306 (-4.4A)
None
NAI  A1306 (-3.6A)
NAI  A1306 (-3.4A)
None
 1.10A 3rukD-1gz6A:
undetectable		 3rukD-1gz6A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_1
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
VAL A  85
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.88A 3s54A-1ek6A:
undetectable		 3s54A-1ek6A:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.80A 3s54B-1ek6A:
undetectable		 3s54B-1ek6A:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 9 THR A 116
THR A 115
ASN A 114
TYR A  63
ASP A  64
 None
None
None
None
NAI  A 850 (-3.4A)
 1.45A 3sfuA-1mg5A:
undetectable		 3sfuA-1mg5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		5 / 8 ASN A  57
ALA A  59
GLY A  13
ILE A  16
THR A  30
 None
NAI  A 300 (-3.2A)
None
None
None
 1.40A 3so9A-1vl0A:
undetectable		 3so9A-1vl0A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1c1d L-PHENYLALANINE
DEHYDROGENASE
(Rhodococcus
sp.) 		5 / 12 GLY A 187
ILE A 315
GLY A 259
ALA A 260
ALA A 289
 None
None
None
NAI  A 360 (-3.7A)
None
 0.96A 3sudC-1c1dA:
undetectable		 3sudC-1c1dA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 12 VAL A  11
GLY A  18
ALA A  17
THR A  15
ALA A 100
 None
NAI  A1306 ( 4.2A)
None
None
NAI  A1306 (-3.4A)
 1.08A 3sugA-1gz6A:
undetectable		 3sugA-1gz6A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_1
(PROTEASE)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		5 / 12 GLY A 168
ALA A 235
ILE A 232
THR A 153
ILE A 176
 NAI  A 401 (-3.5A)
NAI  A 401 (-4.9A)
None
None
None
 0.95A 3tkgC-4ilkA:
undetectable		 3tkgC-4ilkA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 HIS A 235
HIS A 231
ILE A 232
 None
NAI  A1001 (-3.9A)
None
 0.85A 3u52A-1wnbA:
undetectable
3u52C-1wnbA:
undetectable		 3u52A-1wnbA:
20.54
3u52C-1wnbA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		6 / 12 ASP A 143
GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
None
NAI  A1000 ( 4.1A)
None
 1.37A 3uboA-2x0iA:
6.2		 3uboA-2x0iA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		4 / 5 SER A 139
ILE A  18
TYR A 152
GLY A 183
 ACT  A 900 ( 2.9A)
NAI  A 850 (-3.9A)
ACT  A 900 ( 4.2A)
NAI  A 850 (-4.9A)
 1.06A 3uboB-1mg5A:
4.8		 3uboB-1mg5A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		4 / 5 SER A 142
ILE A  18
TYR A 155
GLY A 188
 NAI  A1270 ( 3.8A)
NAI  A1270 (-3.6A)
SS2  A1260 ( 4.2A)
None
 1.02A 3uboB-1zjyA:
6.5		 3uboB-1zjyA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		4 / 5 SER A 145
ILE A  25
TYR A 158
GLY A 189
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.8A)
NAI  A 301 (-4.5A)
NAI  A 301 (-4.8A)
 0.93A 3uboB-4nbuA:
7.1		 3uboB-4nbuA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG
(Clostridium
acetobutylicum) 		5 / 12 LEU A  12
ILE A   3
ILE A  99
CYH A  58
ILE A 145
 NAI  A 300 (-4.5A)
None
NAI  A 300 (-4.2A)
None
None
 1.13A 3uj7A-1vl0A:
0.9		 3uj7A-1vl0A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 11 GLY A  16
ASP A  38
ASP A  40
ASP A  64
VAL A  65
 NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.75A 3v8vB-4ituA:
5.9		 3v8vB-4ituA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4uup MALATE DEHYDROGENASE
(synthetic
construct) 		5 / 9 ALA A  13
GLY A  17
LEU A  56
LEU A  39
LEU A  20
 NAI  A 345 ( 4.2A)
None
None
None
None
 1.18A 3wdmC-4uupA:
3.9		 3wdmC-4uupA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  24
GLY A  20
ILE A  29
VAL A  51
ALA A  96
 None
NAI  A 302 ( 4.1A)
None
None
NAI  A 302 ( 4.3A)
 1.14A 4a6dA-1ahiA:
5.8		 4a6dA-1ahiA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  24
GLY A  20
ILE A  29
VAL A  51
ALA A  96
 None
NAI  A 302 ( 4.1A)
None
None
NAI  A 302 ( 4.3A)
 1.17A 4a6eA-1ahiA:
4.4		 4a6eA-1ahiA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 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_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 ILE A  27
ILE A  23
GLY A  22
VAL A 246
GLY A 219
 None
NAI  A 302 (-4.0A)
NAI  A 302 (-3.5A)
None
None
 0.91A 4ac9B-1ahiA:
6.4
4ac9C-1ahiA:
6.2		 4ac9B-1ahiA:
22.66
4ac9C-1ahiA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(WBDD)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 GLY A  14
ALA A  12
ILE A  18
VAL A  73
ILE A   8
 None
NAI  A 401 (-3.6A)
None
NAI  A 401 (-4.6A)
None
 0.96A 4ax8A-4mioA:
5.2		 4ax8A-4mioA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 GLY A  14
ALA A  12
ILE A  18
VAL A  73
ILE A   8
 None
NAI  A 401 (-3.6A)
None
NAI  A 401 (-4.6A)
None
 0.93A 4azvA-4mioA:
5.1		 4azvA-4mioA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 ASP A 209
GLY A 208
VAL A 220
HIS A 231
 NAI  A1001 (-3.2A)
NAI  A1001 (-3.4A)
None
NAI  A1001 (-3.9A)
 0.83A 4c5nC-1wnbA:
2.8		 4c5nC-1wnbA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 TYR A 129
MET A 126
ILE A 275
 None
NAI  A 401 ( 3.7A)
None
 0.83A 4c8bB-4mioA:
undetectable		 4c8bB-4mioA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 LEU A 171
ALA A 146
SER A 221
THR A 223
 None
None
None
NAI  A1001 (-4.5A)
 0.90A 4d7bA-1wnbA:
undetectable		 4d7bA-1wnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 10 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.83A 4dqfB-1ek6A:
undetectable		 4dqfB-1ek6A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.96A 4e1vA-4mioA:
undetectable		 4e1vA-4mioA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.95A 4e1vD-4mioA:
undetectable		 4e1vD-4mioA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_G_URFG1301_1
(URIDINE
PHOSPHORYLASE)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 THR A  34
GLY A   6
ILE A   8
VAL A  70
 NAI  A 401 ( 4.9A)
None
None
None
 0.95A 4e1vG-4mioA:
2.1		 4e1vG-4mioA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		4 / 8 ARG A 156
GLY A 134
ALA A 135
ASP A 107
 NAI  A 301 (-3.5A)
NAI  A 301 (-3.1A)
NAI  A 301 (-3.7A)
PO4  A 302 (-3.0A)
 0.76A 4eyrB-1o9bA:
undetectable		 4eyrB-1o9bA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		 5zj5 -
(-) 		4 / 5 GLY A 169
VAL A  61
PRO A 118
TYR A 110
 None
None
None
NAI  A 301 (-4.4A)
 1.09A 4grkA-5zj5A:
undetectable		 4grkA-5zj5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		4 / 8 ILE A 151
LEU A 129
ILE A 112
GLY A 134
 None
None
None
NAI  A 301 (-3.1A)
 0.80A 4hb8A-1o9bA:
undetectable		 4hb8A-1o9bA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_D_15UD402_1
(PROTHROMBIN)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		5 / 12 LEU A 165
ILE A 241
ALA A 207
VAL A 177
GLY A 173
 None
NAI  A 401 ( 4.8A)
None
None
None
 1.14A 4hfpD-4ilkA:
undetectable		 4hfpD-4ilkA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HXY_B_ACAB502_1
(PLM1)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 7 SER A 143
TYR A 156
MET A 194
LEU A 198
 1HS  A 302 ( 2.5A)
1HS  A 302 ( 4.3A)
NAI  A 301 (-3.6A)
None
 1.10A 4hxyB-4ituA:
19.6		 4hxyB-4ituA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HXY_B_ACAB502_1
(PLM1)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		4 / 7 SER A 145
GLN A 155
TYR A 158
MET A 195
 NAI  A 301 (-3.3A)
None
NAI  A 301 (-4.5A)
NAI  A 301 (-3.6A)
 0.51A 4hxyB-4nbuA:
20.3		 4hxyB-4nbuA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		4 / 5 PRO A  85
ASP A  84
ILE A 148
VAL A 292
 None
None
NAI  A 401 (-4.2A)
None
 1.10A 4hytA-4ilkA:
3.9		 4hytA-4ilkA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.8A)
None
 1.03A 4iv0A-1ahiA:
7.3		 4iv0A-1ahiA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 VAL A  34
GLY A  16
GLY A  18
ILE A  12
SER A  47
 None
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.5A)
None
None
 0.99A 4iv0A-4ituA:
6.8		 4iv0A-4ituA:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.75A 4iv0B-1ahiA:
7.4		 4iv0B-1ahiA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ALA A  96
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 ( 4.3A)
None
 1.37A 4iv8A-1ahiA:
7.2		 4iv8A-1ahiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
None
 0.96A 4iv8A-1ahiA:
7.2		 4iv8A-1ahiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		6 / 12 GLY A  13
GLY A  15
ASP A  38
ILE A  39
ASP A  64
ALA A  92
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.8A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
 0.80A 4iv8A-4yacA:
7.5		 4iv8A-4yacA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A  13
GLY A  15
ASP A  37
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 0.61A 4iv8A-6b9uA:
6.3		 4iv8A-6b9uA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ALA A  96
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 ( 4.3A)
None
 1.33A 4iv8B-1ahiA:
6.7		 4iv8B-1ahiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
None
 0.96A 4iv8B-1ahiA:
6.7		 4iv8B-1ahiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4yac C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		6 / 12 GLY A  13
GLY A  15
ASP A  38
ILE A  39
ASP A  64
ALA A  92
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.8A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
 0.76A 4iv8B-4yacA:
7.6		 4iv8B-4yacA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A  13
GLY A  15
ASP A  37
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 0.61A 4iv8B-6b9uA:
6.5		 4iv8B-6b9uA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 8 SER A 144
LEU A 145
TYR A 158
PRO A 190
 NAI  A 500 (-2.6A)
None
NAI  A 500 (-4.4A)
NAI  A 500 (-4.0A)
 0.89A 4j7uD-4yaiA:
22.8		 4j7uD-4yaiA:
27.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JEC_B_478B401_1
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.83A 4jecA-1ek6A:
undetectable		 4jecA-1ek6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		4 / 8 ARG A 198
LEU A 199
ASN A 212
ILE A 211
 NAI  A 401 (-3.0A)
None
None
None
 1.06A 4k0bA-4ilkA:
undetectable		 4k0bA-4ilkA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY
(Paracoccus
laeviglucosivora
ns) 		6 / 12 PHE A 250
GLY A 187
SER A 253
ALA A 361
ARG A 178
ILE A 357
 None
None
None
None
NAI  A 401 (-2.7A)
None
 1.41A 4krhB-5yapA:
3.9		 4krhB-5yapA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 5h5x PUTATIVE
OXIDOREDUCTASE
(Streptomyces
coelicolor) 		5 / 11 GLY A 105
ALA A 104
ASP A  50
ILE A 238
VAL A  77
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.6A)
NAI  A 301 (-2.9A)
None
NAI  A 301 (-3.7A)
 1.13A 4l1aA-5h5xA:
undetectable		 4l1aA-5h5xA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 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_2
(SERUM ALBUMIN)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 4 ARG A  38
GLU A 204
ASP A  36
ARG A  62
 None
None
NAI  A 500 (-2.2A)
None
 1.20A 4l9qB-4yaiA:
0.0		 4l9qB-4yaiA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  22
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.06A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  24
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.07A 4lg1A-4ituA:
7.4		 4lg1A-4ituA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  22
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.09A 4lg1C-4ituA:
3.4		 4lg1C-4ituA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 ALA A  24
GLY A  14
GLY A  16
ASP A  38
LEU A  43
 None
NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
 1.10A 4lg1C-4ituA:
3.4		 4lg1C-4ituA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A201_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 10 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.86A 4ll3B-1ek6A:
undetectable		 4ll3B-1ek6A:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LL3_A_017A202_1
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 10 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.88A 4ll3A-1ek6A:
undetectable		 4ll3A-1ek6A:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.36A 4lvcA-3q2kA:
4.8		 4lvcA-3q2kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA603_1
(TRANSPORTER)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		5 / 10 ASP X  86
TYR X 141
SER X  89
GLY X  92
ASP X 250
 NAI  X 401 (-2.7A)
None
None
None
NAI  X 401 ( 4.5A)
 1.44A 4mmcA-3fmxX:
undetectable		 4mmcA-3fmxX:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 SER A  78
HIS A  81
ILE A 185
GLU A  98
 NAI  A 401 (-3.1A)
NAI  A 401 (-4.0A)
None
NAI  A 401 (-3.3A)
 1.03A 4ms4A-4n54A:
5.2		 4ms4A-4n54A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.8A)
None
 1.04A 4mwzA-1ahiA:
7.5		 4mwzA-1ahiA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		3 / 3 SER A 193
ASP A  36
ASP A  64
 NAI  A 500 (-2.7A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.0A)
 0.91A 4mwzA-4yaiA:
6.9		 4mwzA-4yaiA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		4 / 8 GLY A  85
GLY A  17
ILE A  19
LEU A  13
 NAI  A 401 (-4.0A)
NAI  A 401 (-3.3A)
NAI  A 401 (-3.7A)
None
 0.76A 4mwzB-4plfA:
undetectable		 4mwzB-4plfA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_CQAB303_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4plh MALATE DEHYDROGENASE
(Apicomplexa) 		4 / 8 GLY A  81
GLY A  13
ILE A  15
LEU A   9
 NAI  A 403 (-4.3A)
NA  A 402 ( 3.3A)
NAI  A 403 ( 3.8A)
None
 0.70A 4mwzB-4plhA:
undetectable		 4mwzB-4plhA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.8A)
None
 1.04A 4mwzB-1ahiA:
7.3		 4mwzB-1ahiA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 VAL A  34
GLY A  16
GLY A  18
ILE A  12
SER A  47
 None
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.5A)
None
None
 0.99A 4mwzB-4ituA:
6.6		 4mwzB-4ituA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 LEU A 205
GLY A 193
ALA A 202
LEU A 307
GLY A 164
 None
None
None
None
NAI  A1000 ( 4.1A)
 0.92A 4n09C-2x0iA:
6.2		 4n09C-2x0iA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 12 LEU A  16
ASN A  24
ILE A  22
GLY A  28
ALA A  29
 None
None
NAI  A 500 (-3.9A)
None
None
 1.11A 4nkvC-3q2iA:
undetectable		 4nkvC-3q2iA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 12 LEU A  16
ASN A  24
ILE A  22
GLY A  28
ALA A  29
 None
None
NAI  A 500 (-3.9A)
None
None
 1.10A 4nkvD-3q2iA:
undetectable		 4nkvD-3q2iA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		4 / 5 ILE A 147
LEU A 302
GLU A  66
VAL A 292
 None
None
None
NAI  A 601 (-3.4A)
 1.01A 4nkxB-3meqA:
undetectable		 4nkxB-3meqA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.28A 4o5fA-1wnbA:
undetectable
4o5fB-1wnbA:
undetectable		 4o5fA-1wnbA:
24.72
4o5fB-1wnbA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 ALA A  13
GLY A  14
SER A  23
GLY A  94
ASN A  91
 NAI  A 850 (-3.2A)
None
None
NAI  A 850 (-3.5A)
None
 1.04A 4obwA-1mg5A:
6.2		 4obwA-1mg5A:
24.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKN_B_KANB403_1
(L-LACTATE
DEHYDROGENASE A
CHAIN)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 9 ASP A  53
TYR A  85
ALA A  98
ILE A 119
ILE A 123
 NAI  A1000 (-2.8A)
None
NAI  A1000 (-3.5A)
NAI  A1000 (-3.7A)
None
 0.77A 4oknB-2x0iA:
39.6		 4oknB-2x0iA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OKN_B_KANB403_1
(L-LACTATE
DEHYDROGENASE A
CHAIN)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		5 / 9 ASP A  39
VAL A  40
TYR A  71
ALA A  84
ILE A 109
 NAI  A 401 (-2.2A)
NAI  A 401 (-4.5A)
None
NAI  A 401 (-3.4A)
NAI  A 401 (-3.7A)
 0.91A 4oknB-4plfA:
38.7		 4oknB-4plfA:
32.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 SER A  83
ASP A 182
GLN A 189
 NAI  A 500 (-2.7A)
None
HP7  A 550 (-4.8A)
 0.54A 4oltA-3q2iA:
undetectable
4oltB-3q2iA:
undetectable		 4oltA-3q2iA:
22.56
4oltB-3q2iA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA306_1
(CHITOSANASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 SER A  82
ASP A 181
GLN A 188
 NAI  A 500 (-2.7A)
None
HP7  A 550 (-3.9A)
 0.65A 4oltA-3q2kA:
undetectable
4oltB-3q2kA:
undetectable		 4oltA-3q2kA:
21.74
4oltB-3q2kA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 GLY A  52
ALA A  56
VAL A 309
TYR A 313
LEU A 271
 NAI  A1400 (-3.5A)
None
None
None
NAI  A1400 (-4.7A)
 1.12A 4pd5A-3zu4A:
undetectable		 4pd5A-3zu4A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 VAL A 142
SER A 158
GLY A  93
PHE A  97
GLY A 146
 None
None
NAI  A 401 ( 4.4A)
None
None
 1.43A 4pevB-4y9dA:
5.8		 4pevB-4y9dA:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 11 GLY A   9
GLY A  10
THR A  18
ASP A  33
ASP A  66
 NAI  A 400 (-3.3A)
None
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
 0.69A 4pghA-1ek6A:
5.8		 4pghA-1ek6A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 GLY A   9
GLY A  10
THR A  18
ASP A  33
ASP A  66
 NAI  A 400 (-3.3A)
None
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.1A)
 1.15A 4pghD-1ek6A:
4.7		 4pghD-1ek6A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 THR A  11
GLY A  13
ASP A  36
ILE A  37
SER A  66
 None
None
NAI  A 500 (-2.2A)
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.1A)
 1.09A 4pooB-4yaiA:
8.7		 4pooB-4yaiA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  49
GLY A  12
VAL A  31
VAL A  19
LEU A  22
 None
NAI  A 400 (-3.3A)
None
None
None
 1.15A 4qd3A-1ek6A:
2.7		 4qd3A-1ek6A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QGI_A_ROCA101_1
(PROTEASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 11 GLY A  20
ALA A  22
THR A  11
GLY A  12
THR A  60
 None
None
None
NAI  A 500 (-2.8A)
None
 0.97A 4qgiA-4yaiA:
undetectable		 4qgiA-4yaiA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  43
ILE A  23
ARG A 113
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-4.0A)
None
 1.13A 4qtuB-1ahiA:
6.3		 4qtuB-1ahiA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 GLN A 189
SER A  83
ASP A 182
 HP7  A 550 (-4.8A)
NAI  A 500 (-2.7A)
None
 0.58A 4qwpA-3q2iA:
undetectable
4qwpB-3q2iA:
undetectable		 4qwpA-3q2iA:
21.75
4qwpB-3q2iA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_B_GCSB304_1
(CHITOSANASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 GLN A 188
SER A  82
ASP A 181
 HP7  A 550 (-3.9A)
NAI  A 500 (-2.7A)
None
 0.64A 4qwpA-3q2kA:
undetectable
4qwpB-3q2kA:
undetectable		 4qwpA-3q2kA:
21.74
4qwpB-3q2kA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 MET A 127
ILE A 151
THR A 204
LEU A 241
LEU A 200
 None
None
NAI  A 301 (-4.4A)
None
None
 1.06A 4qynB-1o9bA:
undetectable		 4qynB-1o9bA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 MET A 127
ILE A 151
THR A 204
LEU A 241
LEU A 200
 None
None
NAI  A 301 (-4.4A)
None
None
 1.09A 4qztA-1o9bA:
undetectable		 4qztA-1o9bA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		 1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB
(Escherichia
coli) 		5 / 12 MET A 127
ILE A 151
THR A 204
LEU A 241
LEU A 200
 None
None
NAI  A 301 (-4.4A)
None
None
 1.09A 4qzuC-1o9bA:
undetectable		 4qzuC-1o9bA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 ALA A 209
ALA A 116
ILE A 115
LEU A 191
GLY A 214
 None
None
None
NAI  A4000 ( 3.9A)
None
 0.98A 4r38A-2dknA:
undetectable		 4r38A-2dknA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 ALA A 209
ALA A 116
ILE A 115
LEU A 191
GLY A 214
 None
None
None
NAI  A4000 ( 3.9A)
None
 0.96A 4r38B-2dknA:
undetectable		 4r38B-2dknA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 ALA A 209
ALA A 116
ILE A 115
LEU A 191
GLY A 214
 None
None
None
NAI  A4000 ( 3.9A)
None
 0.97A 4r38C-2dknA:
undetectable		 4r38C-2dknA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 ALA A 209
ALA A 116
ILE A 115
LEU A 191
GLY A 214
 None
None
None
NAI  A4000 ( 3.9A)
None
 0.92A 4r38D-2dknA:
undetectable		 4r38D-2dknA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4plh MALATE DEHYDROGENASE
(Apicomplexa) 		5 / 12 GLY A 175
GLY A 176
GLY A 147
ALA A 146
ILE A 254
 None
None
None
NAI  A 403 ( 4.5A)
None
 0.89A 4rtmA-4plhA:
3.5		 4rtmA-4plhA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 4plf LACTATE
DEHYDROGENASE
(Apicomplexa) 		5 / 12 PHE A 105
GLY A  85
ALA A  84
ASN A 131
PRO A 104
 None
NAI  A 401 (-4.0A)
NAI  A 401 (-3.4A)
NAI  A 401 ( 3.2A)
None
 1.11A 4rtpA-4plfA:
3.6		 4rtpA-4plfA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		5 / 12 GLY A  93
ASP A 117
ILE A 118
ASN A 119
PRO A 155
 NAI  A 301 (-3.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-4.1A)
None
NAI  A 301 (-4.3A)
 0.85A 4rtsA-3wghA:
undetectable		 4rtsA-3wghA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4xsh ADP-RIBOSYLTRANSFERA
SE
(Bacillus
cereus) 		5 / 12 TYR B 194
ILE B 212
ALA B 216
ARG B 155
ILE B 126
 EDO  B 302 (-4.1A)
None
None
NAI  B 301 (-3.1A)
None
 1.07A 4rvdA-4xshB:
undetectable		 4rvdA-4xshB:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.79A 4rvjB-1ek6A:
undetectable		 4rvjB-1ek6A:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVJ_D_478D101_2
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 9 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.79A 4rvjD-1ek6A:
undetectable		 4rvjD-1ek6A:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 12 GLY A  26
ASP A  44
PHE A  62
ILE A  42
ALA A  53
 None
NAI  A 301 (-2.9A)
None
None
None
 1.15A 4wh5A-4nbuA:
undetectable		 4wh5A-4nbuA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 12 ASP A  36
GLY A  12
ALA A  92
ILE A  94
PRO A 203
 NAI  A 500 (-2.2A)
NAI  A 500 (-2.8A)
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.7A)
NAI  A 500 ( 4.7A)
 0.78A 4xdrA-4yaiA:
undetectable		 4xdrA-4yaiA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		4 / 4 GLY A 142
VAL A 160
PHE A 222
ILE A 137
 None
None
None
NAI  A 850 (-4.1A)
 1.08A 4xv2B-1mg5A:
0.6		 4xv2B-1mg5A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		4 / 7 TYR A 252
ARG A 297
SER A 340
GLU A 382
 NAI  A 501 (-3.4A)
NAI  A 501 (-2.8A)
NAI  A 501 (-2.6A)
NAI  A 501 (-3.1A)
 1.16A 4xzkA-5h04A:
15.3		 4xzkA-5h04A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		4 / 7 TYR A 252
SER A 340
PHE A 351
GLU A 382
 NAI  A 501 (-3.4A)
NAI  A 501 (-2.6A)
NAI  A 501 (-4.0A)
NAI  A 501 (-3.1A)
 1.32A 4xzkA-5h04A:
15.3		 4xzkA-5h04A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 SER A  63
LEU A 109
ILE A  92
GLY A  91
VAL A 162
 NAI  A1270 (-3.9A)
None
NAI  A1270 (-4.6A)
NAI  A1270 (-3.9A)
None
 1.00A 4y8wA-1zjyA:
undetectable		 4y8wA-1zjyA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		5 / 12 ASP A  62
LEU A 109
ILE A  92
GLY A  91
VAL A 162
 NAI  A1270 (-3.1A)
None
NAI  A1270 (-4.6A)
NAI  A1270 (-3.9A)
None
 1.02A 4y8wB-1zjyA:
undetectable		 4y8wB-1zjyA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YBN_A_ACTA303_0
(FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		3 / 3 VAL A 309
TYR A  53
ALA A  56
 None
NAI  A1400 ( 4.9A)
None
 0.54A 4ybnA-3zu4A:
undetectable		 4ybnA-3zu4A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 ILE A 192
PRO A 221
ILE A  16
VAL A  93
 NAI  A 302 (-4.1A)
None
None
None
 1.00A 4zj8A-1ahiA:
6.1		 4zj8A-1ahiA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE
(Lactobacillus
brevis) 		4 / 6 ILE A 190
PRO A 219
ILE A  11
VAL A  87
 NAI  A1270 (-4.6A)
None
None
None
 1.01A 4zj8A-1zjyA:
5.3		 4zj8A-1zjyA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 SER A  86
SER A 280
GLU A  75
THR A  51
GLY A  52
 None
None
NAI  A1400 (-3.7A)
NAI  A1400 ( 3.6A)
NAI  A1400 (-3.5A)
 1.43A 4zjlA-3zu4A:
undetectable		 4zjlA-3zu4A:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		4 / 7 MET A 329
HIS A  65
CYH A 152
GLY A  40
 NAI  A 601 ( 4.5A)
ZN  A 401 ( 3.2A)
ZN  A 401 (-2.2A)
None
 1.05A 5a5zC-3meqA:
undetectable		 5a5zC-3meqA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.28A 5b8hA-1wnbA:
undetectable
5b8hB-1wnbA:
undetectable		 5b8hA-1wnbA:
22.31
5b8hB-1wnbA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.26A 5b8hA-1wnbA:
undetectable
5b8hB-1wnbA:
undetectable		 5b8hA-1wnbA:
22.31
5b8hB-1wnbA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.98A 5btaA-2j6lA:
undetectable
5btaC-2j6lA:
undetectable
5btaD-2j6lA:
2.1		 5btaA-2j6lA:
22.97
5btaC-2j6lA:
22.97
5btaD-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.99A 5btaA-2j6lA:
undetectable
5btaB-2j6lA:
undetectable
5btaC-2j6lA:
undetectable		 5btaA-2j6lA:
22.97
5btaB-2j6lA:
19.76
5btaC-2j6lA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.94A 5btcA-2j6lA:
undetectable
5btcC-2j6lA:
undetectable
5btcD-2j6lA:
2.1		 5btcA-2j6lA:
22.97
5btcC-2j6lA:
22.97
5btcD-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 6 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.95A 5btcA-2j6lA:
undetectable
5btcB-2j6lA:
1.6
5btcC-2j6lA:
undetectable		 5btcA-2j6lA:
22.97
5btcB-2j6lA:
19.76
5btcC-2j6lA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.95A 5btfA-2j6lA:
undetectable
5btfB-2j6lA:
undetectable
5btfC-2j6lA:
undetectable		 5btfA-2j6lA:
22.97
5btfB-2j6lA:
19.76
5btfC-2j6lA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 7 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.94A 5btfA-2j6lA:
undetectable
5btfC-2j6lA:
undetectable
5btfD-2j6lA:
undetectable		 5btfA-2j6lA:
22.97
5btfC-2j6lA:
22.97
5btfD-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.99A 5btiA-2j6lA:
undetectable
5btiB-2j6lA:
undetectable		 5btiA-2j6lA:
22.97
5btiB-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.98A 5btiC-2j6lA:
undetectable
5btiD-2j6lA:
2.5		 5btiC-2j6lA:
22.97
5btiD-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 GLY A   9
GLY A  12
THR A  18
ASP A  33
ILE A  67
 NAI  A 400 (-3.3A)
NAI  A 400 (-3.3A)
None
NAI  A 400 (-2.7A)
NAI  A 400 (-3.8A)
 1.10A 5bw4A-1ek6A:
5.5		 5bw4A-1ek6A:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4p53 CYCLASE
(Streptomyces
hygroscopicus) 		5 / 12 ALA A 166
GLY A 132
GLY A 134
ALA A 130
ARG A 155
 NAI  A 502 (-3.5A)
None
NAI  A 502 (-3.1A)
None
None
 1.00A 5c0oG-4p53A:
3.4		 5c0oG-4p53A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 12 GLY A  16
ASP A  40
LEU A  41
SER A  75
VAL A 122
 NAI  A1306 (-3.6A)
NAI  A1306 (-2.8A)
NAI  A1306 (-4.2A)
NAI  A1306 (-3.2A)
NAI  A1306 ( 4.1A)
 0.73A 5dpdB-1gz6A:
7.0		 5dpdB-1gz6A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 7 GLY A 457
GLY A 501
TYR A 392
ALA A 459
 NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
 0.71A 5e26A-4yswA:
undetectable
5e26B-4yswA:
undetectable		 5e26A-4yswA:
14.13
5e26B-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 7 TYR A 392
ALA A 459
GLY A 457
GLY A 501
 NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
 0.73A 5e26A-4yswA:
undetectable
5e26B-4yswA:
undetectable		 5e26A-4yswA:
14.13
5e26B-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 7 GLY A 457
GLY A 501
TYR A 392
ALA A 459
 NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
 0.67A 5e26C-4yswA:
undetectable
5e26D-4yswA:
undetectable		 5e26C-4yswA:
14.13
5e26D-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 TYR A 392
ALA A 459
GLY A 457
GLY A 501
 NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
 0.67A 5e26C-4yswA:
undetectable
5e26D-4yswA:
undetectable		 5e26C-4yswA:
14.13
5e26D-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5K_B_017B201_1
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.80A 5e5kA-1ek6A:
undetectable		 5e5kA-1ek6A:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 6 ALA A 159
THR A 160
VAL A 162
VAL A 180
 NAI  A 502 ( 4.7A)
None
None
None
 1.06A 5eckA-4im7A:
undetectable		 5eckA-4im7A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ILED601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 6 ALA A 159
THR A 160
VAL A 162
VAL A 180
 NAI  A 502 ( 4.7A)
None
None
None
 1.04A 5eckD-4im7A:
undetectable		 5eckD-4im7A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 4uup MALATE DEHYDROGENASE
(synthetic
construct) 		5 / 12 ILE A 107
SER A  88
VAL A  52
CYH A  53
LEU A  39
 NAI  A 345 (-3.5A)
NAI  A 345 (-4.3A)
None
None
None
 1.12A 5ergB-4uupA:
6.5		 5ergB-4uupA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4j4b PYLD
(Methanosarcina
barkeri) 		5 / 12 LEU A 101
PHE A  63
PHE A 108
THR A 125
PHE A  76
 None
0TF  A 904 (-3.8A)
None
NAI  A 901 (-3.4A)
None
 1.18A 5eskA-4j4bA:
undetectable		 5eskA-4j4bA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 12 GLY A 175
ILE A  13
GLY A 113
THR A 161
HIS A 236
 None
NAI  A4000 (-4.0A)
None
None
None
 1.27A 5eslA-2dknA:
undetectable		 5eslA-2dknA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 ALA A  14
PRO A 222
GLY A 217
LEU A 195
 None
None
None
NAI  A 301 ( 4.5A)
 0.79A 5eslA-6b9uA:
undetectable		 5eslA-6b9uA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A  18
GLY A  20
ILE A  27
ILE A  43
ASN A  44
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
None
NAI  A 302 (-4.0A)
None
 0.78A 5fa8A-1ahiA:
7.1		 5fa8A-1ahiA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 ASN A 149
MET A 154
TRP A 157
GLU A 246
CYH A 280
THR A 281
LEU A 438
 NAI  A1001 ( 3.9A)
None
None
NAI  A1001 (-3.4A)
NAI  A1001 (-2.5A)
None
None
 0.74A 5fhzD-1wnbA:
54.3		 5fhzD-1wnbA:
36.62
Potential target for repurposing, i.e. matched protein structure has less than 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_B_X2NB590_1
(CYP51 VARIANT1)		 4j4b PYLD
(Methanosarcina
barkeri) 		5 / 12 LEU A 101
PHE A  63
PHE A 108
THR A 125
PHE A  76
 None
0TF  A 904 (-3.8A)
None
NAI  A 901 (-3.4A)
None
 1.18A 5fsaB-4j4bA:
undetectable		 5fsaB-4j4bA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G08_A_Z80A1187_1
(FREQUENIN 2)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		4 / 6 ILE A 150
TYR A 156
PHE A  97
THR A 192
 1HS  A 302 ( 4.3A)
1HS  A 302 ( 4.3A)
None
NAI  A 301 (-2.8A)
 1.29A 5g08A-4ituA:
undetectable		 5g08A-4ituA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 LEU A 168
THR A 169
PRO A 119
PRO A 188
LEU A 186
 None
None
None
NAI  A 500 (-3.7A)
None
 1.40A 5g48B-4yaiA:
undetectable		 5g48B-4yaiA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 3iqd OCTOPINE
DEHYDROGENASE
(Pecten
maximus) 		5 / 12 ALA B  36
HIS B  15
PHE B  35
GLY B  10
THR B  89
 None
None
NAI  B 405 (-3.7A)
NAI  B 405 (-3.2A)
None
 1.16A 5hfjB-3iqdB:
undetectable		 5hfjB-3iqdB:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 VAL A  65
ASP A  64
LEU A 189
ALA A  13
THR A 188
 NAI  A 850 (-3.5A)
NAI  A 850 (-3.4A)
NAI  A 850 (-3.3A)
NAI  A 850 (-3.2A)
NAI  A 850 ( 4.9A)
 1.35A 5hnzB-1mg5A:
8.7		 5hnzB-1mg5A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY
(Paracoccus
laeviglucosivora
ns) 		4 / 8 ASN A 323
GLU A 165
HIS A 195
THR A  15
 None
8S0  A 402 (-2.8A)
8S0  A 402 ( 3.9A)
NAI  A 401 (-4.0A)
 1.36A 5hqaA-5yapA:
undetectable		 5hqaA-5yapA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 7 ILE A  10
HIS A  41
LEU A  42
ALA A  45
 None
NAI  A 500 (-3.9A)
None
None
 0.81A 5hrqE-4yaiA:
undetectable
5hrqF-4yaiA:
undetectable
5hrqJ-4yaiA:
undetectable		 5hrqE-4yaiA:
5.86
5hrqF-4yaiA:
6.81
5hrqJ-4yaiA:
6.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HS1_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4p53 CYCLASE
(Streptomyces
hygroscopicus) 		4 / 8 ILE A 139
GLY A 133
THR A 158
LEU A 129
 None
NAI  A 502 (-3.2A)
NAI  A 502 (-3.5A)
None
 0.82A 5hs1A-4p53A:
undetectable		 5hs1A-4p53A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 ILE A 164
GLY A 162
LEU A 189
GLY A 252
VAL A 255
 NAI  A1501 (-4.4A)
None
None
None
None
 1.22A 5i75A-2j6lA:
undetectable		 5i75A-2j6lA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_1
(CDL2.3A)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  76
PHE A  77
LEU A 127
LEU A 116
ALA A  89
 None
None
None
None
NAI  A 400 (-3.7A)
 0.97A 5ieoA-1ek6A:
0.0		 5ieoA-1ek6A:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_1
(CDL2.3B)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  76
PHE A  77
LEU A 127
LEU A 116
ALA A  89
 None
None
None
None
NAI  A 400 (-3.7A)
 0.98A 5iepA-1ek6A:
0.0		 5iepA-1ek6A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		5 / 12 ILE A  67
ALA A  40
ALA A  41
VAL A  45
GLY A  11
 None
NAI  A 401 ( 4.5A)
None
None
NAI  A 401 (-3.3A)
 1.07A 5igjA-4mioA:
undetectable		 5igjA-4mioA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		3 / 3 ASP A  36
ASN A  56
PHE A  17
 NAI  A 601 (-2.9A)
NAI  A 601 (-3.6A)
None
 0.81A 5jglB-2hmsA:
6.1		 5jglB-2hmsA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		4 / 5 GLY A 231
THR A 232
GLY A 482
LEU A 242
 NAI  A1501 (-3.4A)
NAI  A1501 (-4.3A)
None
None
 0.85A 5jlcA-2j6lA:
undetectable		 5jlcA-2j6lA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4h8a UREIDOGLYCOLATE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 ALA A 160
LEU A 159
LEU A 171
THR A 172
PRO A 305
 None
None
None
None
NAI  A 401 ( 4.7A)
 1.19A 5k9dA-4h8aA:
undetectable		 5k9dA-4h8aA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 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_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 12 GLU A 271
GLY A 298
ASN A 293
ALA A 330
ASN A 275
 None
None
None
NAI  A 920 (-3.5A)
NAI  A 920 (-3.1A)
 1.06A 5kc4A-1o0sA:
0.0		 5kc4A-1o0sA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		5 / 12 SER A 228
GLY A  15
GLY A  17
THR A  41
LEU A 127
 NAI  A 301 (-2.3A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-3.8A)
None
NAI  A 301 (-3.8A)
 1.18A 5kocB-4q9nA:
4.1		 5kocB-4q9nA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  64
VAL A  65
THR A  66
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 4.5A)
 0.78A 5kpcB-4ituA:
5.2		 5kpcB-4ituA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 7 GLY A  14
ALA A  15
GLY A  59
ILE A  60
 None
NAI  A 401 ( 4.3A)
None
None
 0.65A 5kqyB-4y9dA:
undetectable		 5kqyB-4y9dA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 12 VAL A  76
LEU A 103
SER A 127
GLY A  22
LEU A  21
 NAI  A1306 (-3.6A)
None
None
None
NAI  A1306 (-4.0A)
 1.23A 5m50E-1gz6A:
6.0		 5m50E-1gz6A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.39A 5m5kC-3q2kA:
5.2		 5m5kC-3q2kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.34A 5m66A-3q2kA:
4.9		 5m66A-3q2kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 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_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.35A 5m66B-3q2kA:
5.1		 5m66B-3q2kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 3iqd OCTOPINE
DEHYDROGENASE
(Pecten
maximus) 		5 / 10 VAL B   5
LEU B 144
ALA B  21
PRO B  69
LEU B  51
 None
NAI  B 405 (-3.9A)
None
None
None
 1.42A 5mm4B-3iqdB:
undetectable		 5mm4B-3iqdB:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		3 / 3 SER A 176
SER A  78
PHE A 167
 None
NAI  A 401 (-3.1A)
None
 0.85A 5mugA-4n54A:
undetectable		 5mugA-4n54A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		5 / 12 ALA A 244
VAL A 245
GLY A 179
ALA A 312
ALA A 153
 NAI  A 601 (-3.7A)
NAI  A 601 (-4.3A)
NAI  A 601 (-3.5A)
None
None
 1.09A 5n5dA-3meqA:
7.0		 5n5dA-3meqA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 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_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 9 ARG A  33
ILE A  13
GLY A  14
GLY A   8
LEU A 190
 NAI  A4000 (-3.8A)
NAI  A4000 (-4.0A)
None
NAI  A4000 (-3.5A)
NAI  A4000 (-3.7A)
 0.89A 5o96A-2dknA:
undetectable
5o96B-2dknA:
2.1		 5o96A-2dknA:
25.62
5o96B-2dknA:
25.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		 4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI
(Escherichia
coli) 		4 / 7 ASP A 184
THR A 124
LEU A 123
VAL A 196
 NAI  A 502 (-3.8A)
NAI  A 502 (-4.3A)
None
None
 1.09A 5ov9A-4im7A:
undetectable		 5ov9A-4im7A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T2Z_B_017B201_2
(PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.78A 5t2zB-1ek6A:
undetectable		 5t2zB-1ek6A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TDM_A_ADNA904_1
(ATP-CITRATE SYNTHASE)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		4 / 4 THR A 162
ASP A 164
ARG A 168
LEU A 166
 NAI  A 301 (-3.7A)
None
None
None
 1.00A 5tdmA-3wghA:
4.3		 5tdmA-3wghA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		4 / 6 THR A 162
ASP A 164
ARG A 168
LEU A 166
 NAI  A 301 (-3.7A)
None
None
None
 1.00A 5tdzA-3wghA:
4.5		 5tdzA-3wghA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		3 / 3 THR A 108
MET A 106
HIS A  86
 None
None
NAI  A 500 (-3.9A)
 0.62A 5uunA-3q2iA:
undetectable		 5uunA-3q2iA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 THR A 107
MET A 105
HIS A  85
 None
None
NAI  A 500 (-3.9A)
 0.59A 5uunA-3q2kA:
undetectable		 5uunA-3q2kA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.38A 5v96A-3q2kA:
4.9		 5v96A-3q2kA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 PHE A 402
ALA A 193
THR A 196
ILE A 199
GLU A 122
 NAI  A1501 (-3.9A)
NAI  A1501 (-4.3A)
None
None
None
 1.12A 5vceA-2j6lA:
undetectable		 5vceA-2j6lA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ilk STARVATION SENSING
PROTEIN RSPB
(Escherichia
coli) 		4 / 8 SER A 205
PHE A 146
VAL A 191
ILE A 172
 None
None
None
NAI  A 401 (-3.9A)
 0.89A 5vkqB-4ilkA:
undetectable
5vkqC-4ilkA:
undetectable		 5vkqB-4ilkA:
12.46
5vkqC-4ilkA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 GLU A 116
LEU A 139
VAL A  72
GLY A 110
ILE A 117
 None
NAI  A1400 (-4.5A)
None
None
None
 1.06A 5vopA-3zu4A:
undetectable		 5vopA-3zu4A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASN A  44
ILE A  23
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 (-4.0A)
None
 1.15A 5wy0A-1ahiA:
2.5		 5wy0A-1ahiA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		6 / 12 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASN A  44
ILE A  27
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
None
 1.15A 5wy0A-1ahiA:
2.5		 5wy0A-1ahiA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1e3e ALCOHOL
DEHYDROGENASE, CLASS
II
(Mus
musculus) 		5 / 12 GLY A 203
ASP A 227
ILE A 228
ASN A 229
LYS A 232
 NAI  A 377 (-3.4A)
NAI  A 377 (-3.0A)
NAI  A 377 ( 4.2A)
None
NAI  A 377 ( 4.5A)
 0.67A 5wy0A-1e3eA:
undetectable		 5wy0A-1e3eA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		5 / 12 GLY A  16
GLY A  18
ASP A  40
SER A  75
VAL A  76
 NAI  A1306 (-3.6A)
NAI  A1306 ( 4.2A)
NAI  A1306 (-2.8A)
NAI  A1306 (-3.2A)
NAI  A1306 (-3.6A)
 0.49A 5wy0A-1gz6A:
2.6		 5wy0A-1gz6A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 4uup MALATE DEHYDROGENASE
(synthetic
construct) 		5 / 12 ALA A 248
GLY A  11
ALA A  12
LEU A  56
LEU A  37
 None
NAI  A 345 (-2.9A)
None
None
None
 1.47A 5x23A-4uupA:
undetectable		 5x23A-4uupA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 9 ILE A 390
GLY A 404
PHE A 326
TYR A 456
ALA A 446
 None
None
NAI  A 920 (-3.8A)
None
None
 1.43A 5x66C-1o0sA:
undetectable		 5x66C-1o0sA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 2hms YUAA PROTEIN
(Bacillus
subtilis) 		5 / 9 ILE A  21
LEU A  14
GLY A  15
PHE A  17
ALA A  44
 None
None
NAI  A 601 (-3.2A)
None
None
 1.25A 5x66C-2hmsA:
undetectable		 5x66C-2hmsA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		5 / 10 ILE A 390
GLY A 404
PHE A 326
TYR A 456
ALA A 446
 None
None
NAI  A 920 (-3.8A)
None
None
 1.45A 5x66D-1o0sA:
undetectable		 5x66D-1o0sA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 VAL A  24
GLY A  54
GLY A  52
GLN A 134
ALA A  57
 None
NA  A1402 (-3.5A)
NAI  A1400 (-3.5A)
None
None
 1.25A 5x7fA-3zu4A:
7.2		 5x7fA-3zu4A:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY
(Paracoccus
laeviglucosivora
ns) 		4 / 5 HIS A  88
ASP A 191
GLY A 190
ASN A  85
 NAI  A 401 (-3.8A)
8S0  A 402 (-4.3A)
None
NAI  A 401 (-3.7A)
 1.23A 5x7pB-5yapA:
undetectable		 5x7pB-5yapA:
5.36
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5h04 BINARY ENTEROTOXIN
OF CLOSTRIDIUM
PERFRINGENS
COMPONENT A
(Clostridium
perfringens) 		4 / 5 LEU A 384
VAL A 371
GLU A 375
LEU A 248
 None
None
None
NAI  A 501 (-4.7A)
 1.07A 5xooB-5h04A:
undetectable		 5xooB-5h04A:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 ILE A  69
LEU A  51
ALA A  47
LEU A  13
 None
None
None
NAI  A 401 (-4.8A)
 0.83A 5y7pC-4n54A:
undetectable		 5y7pC-4n54A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 ILE A  69
LEU A  51
ALA A  47
LEU A  13
 None
None
None
NAI  A 401 (-4.8A)
 0.79A 5y7pE-4n54A:
undetectable		 5y7pE-4n54A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YOD_F_BEZF201_0
(NS3 PROTEASE)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		4 / 5 HIS A 125
ALA A  80
SER A 155
TYR A 154
 None
NAI  A 301 (-3.9A)
None
None
 1.27A 5yodF-4q9nA:
undetectable		 5yodF-4q9nA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)		 4n54 INOSITOL
DEHYDROGENASE
(Lactobacillus
casei) 		4 / 4 GLY A  17
LEU A  16
VAL A  75
GLU A  98
 NAI  A 401 ( 4.9A)
NAI  A 401 (-3.9A)
NAI  A 401 (-4.6A)
NAI  A 401 (-3.3A)
 1.27A 5yw0A-4n54A:
undetectable		 5yw0A-4n54A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z12_B_9CRB501_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 GLN A  50
ILE A  21
HIS A  25
 None
NAI  A 500 (-3.6A)
None
 0.67A 5z12B-3q2kA:
undetectable		 5z12B-3q2kA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		4 / 8 GLY A  93
ILE A  94
ASP A  36
HIS A  41
 NAI  A 500 (-3.0A)
NAI  A 500 ( 4.7A)
NAI  A 500 (-2.2A)
NAI  A 500 (-3.9A)
 1.05A 6ag0C-4yaiA:
undetectable		 6ag0C-4yaiA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		6 / 12 GLY A  18
GLY A  20
ASN A  44
ALA A  47
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
None
NAI  A 302 ( 4.9A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.94A 6b3aA-1ahiA:
6.4		 6b3aA-1ahiA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 GLY A   9
GLY A  12
ALA A  38
ASP A  66
ILE A  67
 NAI  A 400 (-3.3A)
NAI  A 400 (-3.3A)
NAI  A 400 (-3.4A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.8A)
 0.85A 6b3aA-1ek6A:
5.3		 6b3aA-1ek6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 GLY A  92
TYR A  63
ALA A  93
ILE A  10
LEU A  89
 NAI  A 850 (-4.6A)
None
NAI  A 850 (-3.5A)
None
None
 1.19A 6b3aA-1mg5A:
5.8		 6b3aA-1mg5A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE
(Escherichia
coli) 		6 / 12 GLY A  18
GLY A  20
ASN A  44
ALA A  47
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
None
NAI  A 302 ( 4.9A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.92A 6b3bA-1ahiA:
7.4		 6b3bA-1ahiA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 GLY A   9
GLY A  12
ALA A  38
ASP A  66
ILE A  67
 NAI  A 400 (-3.3A)
NAI  A 400 (-3.3A)
NAI  A 400 (-3.4A)
NAI  A 400 (-3.1A)
NAI  A 400 (-3.8A)
 0.87A 6b3bA-1ek6A:
5.9		 6b3bA-1ek6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 1mg5 ALCOHOL
DEHYDROGENASE
(Drosophila
melanogaster) 		5 / 12 GLY A  92
TYR A  63
ALA A  93
ILE A  10
LEU A  89
 NAI  A 850 (-4.6A)
None
NAI  A 850 (-3.5A)
None
None
 1.15A 6b3bA-1mg5A:
6.0		 6b3bA-1mg5A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 9 ALA A 233
GLY A 231
ALA A  56
GLY A 226
SER A  57
 None
NAI  A1501 (-3.4A)
None
None
None
 1.19A 6bklE-2j6lA:
undetectable
6bklF-2j6lA:
undetectable
6bklG-2j6lA:
undetectable
6bklH-2j6lA:
undetectable		 6bklE-2j6lA:
6.17
6bklF-2j6lA:
6.17
6bklG-2j6lA:
6.17
6bklH-2j6lA:
6.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE
(Bacillus
sp.
SG-1) 		5 / 9 ALA A  30
ALA A  22
GLY A  26
ALA A  43
GLY A  20
 None
NAI  A 301 ( 4.2A)
None
None
NAI  A 301 (-3.3A)
 0.98A 6bklE-4nbuA:
undetectable
6bklF-4nbuA:
undetectable
6bklG-4nbuA:
undetectable
6bklH-4nbuA:
undetectable		 6bklE-4nbuA:
7.00
6bklF-4nbuA:
7.00
6bklG-4nbuA:
7.00
6bklH-4nbuA:
7.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 4yai C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 9 ALA A  22
ALA A  14
GLY A  18
ALA A  35
GLY A  12
 None
NAI  A 500 ( 4.2A)
None
None
NAI  A 500 (-2.8A)
 0.95A 6bklE-4yaiA:
undetectable
6bklF-4yaiA:
undetectable
6bklG-4yaiA:
undetectable
6bklH-4yaiA:
undetectable		 6bklE-4yaiA:
6.71
6bklF-4yaiA:
6.71
6bklG-4yaiA:
6.71
6bklH-4yaiA:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Brucella
suis) 		5 / 12 GLY A 176
ASP A 199
ILE A 200
ASP A 201
ALA A 249
 NAI  A 601 (-3.4A)
NAI  A 601 (-2.9A)
NAI  A 601 (-4.2A)
None
NAI  A 601 (-3.6A)
 0.82A 6bq4A-3meqA:
6.1		 6bq4A-3meqA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3q2i DEHYDROGENASE
(Chromobacterium
violaceum) 		5 / 12 GLY A  18
ASP A  44
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-2.9A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 0.96A 6bq4A-3q2iA:
4.7		 6bq4A-3q2iA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 GLY A  48
ASP A 111
ALA A 112
LEU A 139
ALA A 140
 NAI  A1400 ( 3.4A)
NAI  A1400 (-3.9A)
NAI  A1400 (-3.3A)
NAI  A1400 (-4.5A)
ZU4  A1401 ( 3.3A)
 1.02A 6bq4A-3zu4A:
5.2		 6bq4A-3zu4A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		5 / 12 GLY A  48
ASP A 111
ALA A 112
LEU A 139
ALA A 140
 NAI  A1400 ( 3.4A)
NAI  A1400 (-3.9A)
NAI  A1400 (-3.3A)
NAI  A1400 (-4.5A)
ZU4  A1401 ( 3.3A)
 1.01A 6bq4B-3zu4A:
5.8		 6bq4B-3zu4A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 2x0i MALATE DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 12 GLY A  33
SER A  91
LYS A  23
VAL A  52
ASP A  53
 None
None
None
None
NAI  A1000 (-2.8A)
 1.48A 6bxlA-2x0iA:
2.4		 6bxlA-2x0iA:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 LEU A 198
GLY A 195
VAL A 248
ILE A 226
ASP A 225
 None
NAI  A 301 ( 4.2A)
None
None
None
 1.38A 6bxnB-4ituA:
undetectable		 6bxnB-4ituA:
25.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_G_EY4G502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE
(Lactobacillus
casei) 		4 / 8 ILE A  93
ILE A   8
THR A  34
TYR A  55
 None
None
NAI  A 401 ( 4.9A)
None
 0.91A 6cduG-4mioA:
undetectable
6cduH-4mioA:
undetectable		 6cduG-4mioA:
20.89
6cduH-4mioA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_0
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.94A 6dh0A-2j6lA:
undetectable		 6dh0A-2j6lA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_1
(PROTEASE)		 2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens) 		5 / 12 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.91A 6dh0B-2j6lA:
undetectable		 6dh0B-2j6lA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.76A 6difB-1ek6A:
undetectable		 6difB-1ek6A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		5 / 12 ASP A 117
VAL A 132
GLY A  96
ILE A  99
VAL A 130
 NAI  A 301 (-2.8A)
None
None
None
None
 0.79A 6dilA-3wghA:
undetectable		 6dilA-3wghA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.74A 6dilB-1ek6A:
undetectable		 6dilB-1ek6A:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]
(Chlamydia
trachomatis) 		5 / 12 LEU A 127
GLY A  15
VAL A 124
LEU A 123
ILE A 122
 NAI  A 301 (-3.8A)
NAI  A 301 ( 4.3A)
None
None
None
 0.93A 6ectA-4q9nA:
4.3		 6ectA-4q9nA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX
(Thermoanaerobact
er
ethanolicus) 		6 / 12 ILE A  89
GLY A  91
ILE A 154
THR A 162
ILE A 149
ILE A 151
 None
NAI  A 301 ( 3.7A)
NAI  A 301 (-3.7A)
NAI  A 301 (-3.7A)
None
None
 1.41A 6emuA-3wghA:
3.8		 6emuA-3wghA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 GLY A  13
GLY A  19
THR A  12
ASN A  90
ILE A  64
 NAI  A 401 (-2.9A)
None
None
None
NAI  A 401 (-3.9A)
 1.21A 6exiA-4y9dA:
6.7		 6exiA-4y9dA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 4y9d C
ALPHA-DEHYDROGENASE
(Sphingobium
sp.
SYK-6) 		5 / 10 GLY A  13
GLY A  19
THR A  12
ASN A  90
ILE A  64
 NAI  A 401 (-2.9A)
None
None
None
NAI  A 401 (-3.9A)
 1.20A 6exiB-4y9dA:
7.8		 6exiB-4y9dA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		 1o0s NAD-DEPENDENT MALIC
ENZYME
(Ascaris
suum) 		4 / 6 ILE A 195
TYR A 126
LEU A 183
ARG A 181
 None
None
NAI  A 920 (-4.7A)
NAI  A 920 (-2.9A)
 1.14A 6f6jA-1o0sA:
undetectable		 6f6jA-1o0sA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE
(Pseudomonas
sp.
B-0831) 		5 / 8 GLY A  73
GLY A 184
SER A 114
ALA A 117
LYS A 157
 None
NAI  A4000 (-4.8A)
NAI  A4000 (-3.5A)
None
NAI  A4000 (-2.8A)
 1.48A 6hu9H-2dknA:
undetectable
6hu9e-2dknA:
undetectable		 6hu9H-2dknA:
12.96
6hu9e-2dknA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR
(Xanthobacter
autotrophicus) 		5 / 12 GLY A  14
GLY A  16
ASP A  40
LEU A  43
VAL A  65
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
None
None
NAI  A 301 (-3.5A)
 0.90A 6iftA-4ituA:
5.6		 6iftA-4ituA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1
(Yersinia
pestis) 		4 / 5 GLY A  52
LEU A  55
SER A  86
GLN A 277
 NAI  A1400 (-3.5A)
None
None
NAI  A1400 (-4.7A)
 1.27A 6ji6A-3zu4A:
undetectable		 6ji6A-3zu4A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_A_DCFA401_1
(ADENOSINE DEAMINASE)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		4 / 4 HIS A 123
LEU A  21
TYR A  25
GLY A  16
 NAI  A1306 (-4.6A)
NAI  A1306 (-4.0A)
None
NAI  A1306 (-3.6A)
 1.44A 6n91A-1gz6A:
1.2		 6n91A-1gz6A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6N91_B_DCFB401_1
(ADENOSINE DEAMINASE)		 1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4
(Rattus
norvegicus) 		4 / 4 HIS A 123
LEU A  21
TYR A  25
GLY A  16
 NAI  A1306 (-4.6A)
NAI  A1306 (-4.0A)
None
NAI  A1306 (-3.6A)
 1.44A 6n91B-1gz6A:
0.4		 6n91B-1gz6A:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens) 		5 / 12 LEU A 247
ILE A  14
LEU A  49
GLY A 198
ALA A  38
 None
NAI  A 400 (-3.9A)
None
None
NAI  A 400 (-3.4A)
 1.45A 6qyaB-1ek6A:
0.0		 6qyaB-1ek6A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.19A 6r2eA-3afoA:
undetectable		 6r2eA-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.17A 6r2eB-3afoA:
undetectable		 6r2eB-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.14A 6r2eC-3afoA:
undetectable		 6r2eC-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 10 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.21A 6r2eD-3afoA:
undetectable		 6r2eD-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.19A 6r2eE-3afoA:
undetectable		 6r2eE-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 11 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.21A 6r2eF-3afoA:
undetectable		 6r2eF-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 11 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.18A 6r2eG-3afoA:
undetectable		 6r2eG-3afoA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3afo NADH KINASE POS5
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 178
LEU A 144
LEU A 154
GLY A 151
MET A 225
 MPD  A2001 ( 3.8A)
None
NAI  A1001 (-4.9A)
NAI  A1001 (-3.3A)
None
 1.23A 6r2eH-3afoA:
undetectable		 6r2eH-3afoA:
19.80