SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B13'


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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
(Homo
sapiens) 		5 / 12 ALA B 214
ILE B 213
LEU B 183
LEU B 142
PHE B 221
 None
None
None
None
GOL  B1321 (-3.8A)
 1.01A 1dtlA-5a1nB:
undetectable		 1dtlA-5a1nB:
21.16
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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		 5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE
(Homo
sapiens) 		5 / 12 ILE B 213
LEU A  72
LEU B 183
LEU B 142
PHE B 221
 None
None
None
None
GOL  B1321 (-3.8A)
 1.04A 1dtlA-5a1nB:
undetectable		 1dtlA-5a1nB:
21.16
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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
(Escherichia
coli) 		4 / 5 HIS B 148
ALA B 156
SER B 154
HIS B 291
 SF4  B 320 ( 4.8A)
CL  B1319 (-4.0A)
None
None
 1.38A 1errA-5g5gB:
undetectable
1errB-5g5gB:
undetectable		 1errA-5g5gB:
20.36
1errB-5g5gB:
20.36
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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 5ikj CRYPTIC LOCI
REGULATOR 2
CRYPTIC LOCI
REGULATOR PROTEIN 1
(Schizosaccharomy
ces
pombe) 		5 / 12 TYR A 522
PHE A 521
LEU B1183
LEU A 508
VAL A 511
 None
None
None
CL  B1301 ( 4.7A)
None
 1.16A 1gseA-5ikjA:
undetectable		 1gseA-5ikjA:
17.27
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.
1ICV_A_NIOA704_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 SER A 426
PHE B 281
GLU B 286
GLY B 282
 None
None
None
GOL  B1355 ( 4.9A)
 1.45A 1icvA-2ivfA:
undetectable
1icvB-2ivfA:
undetectable		 1icvA-2ivfA:
13.27
1icvB-2ivfA:
13.27
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.94A 1l7fA-2ivfB:
undetectable		 1l7fA-2ivfB:
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.96A 1l7hA-2ivfB:
undetectable		 1l7hA-2ivfB:
21.39
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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLU A 430
ARG B 317
LEU A 294
ASP A 293
 None
PO4  B1354 (-3.9A)
None
None
 1.21A 1n13B-2ivfA:
undetectable
1n13C-2ivfA:
undetectable		 1n13B-2ivfA:
7.55
1n13C-2ivfA:
4.84
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 THR B 155
THR B 266
PRO B 157
 None
SF4  B1357 ( 4.6A)
SF4  B1357 ( 4.8A)
 0.86A 1qfiB-2ivfB:
undetectable		 1qfiB-2ivfB:
4.67
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.
1RNR_A_DAHA208_1
(RIBONUCLEOTIDE
REDUCTASE R1 PROTEIN)		 2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE
(Hedera
helix) 		5 / 11 GLU B 138
HIS B 141
GLU B 191
SER B 197
ILE B 220
 FE  B1360 (-2.4A)
FE  B1359 (-3.3A)
FE  B1360 ( 2.0A)
None
None
 0.82A 1rnrA-2uw1B:
14.1		 1rnrA-2uw1B:
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.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 1rqjA-5ahuB:
22.5		 1rqjA-5ahuB:
24.30
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.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.59A 1rqjB-5ahuB:
22.6		 1rqjB-5ahuB:
24.30
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 7 VAL B  90
VAL B 325
ARG B  49
CYH B  10
 None
None
None
AGS  B1342 ( 4.5A)
 1.16A 1t46A-3zeuB:
undetectable		 1t46A-3zeuB:
23.34
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.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4acz ENDO-ALPHA-MANNOSIDA
SE
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU B 223
HIS B 185
LYS B 187
 GOL  B1379 (-4.6A)
GOL  B1379 ( 3.8A)
GOL  B1379 (-3.0A)
 0.95A 1y7iA-4aczB:
undetectable		 1y7iA-4aczB:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 1yhlA-5ahuB:
39.9		 1yhlA-5ahuB:
73.47
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 5 CYH B  10
PRO B 327
THR B  55
THR B  13
 AGS  B1342 ( 4.5A)
CL  B1338 (-4.1A)
None
None
 0.97A 1ymxB-3zeuB:
undetectable		 1ymxB-3zeuB:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 11 LEU B 100
ARG B 112
THR B 217
TYR B 216
LYS B 269
 None
G76  B1368 (-2.8A)
None
None
G76  B1368 (-3.1A)
 1.46A 1yq7A-5ahuB:
32.7		 1yq7A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 1yq7A-5ahuB:
32.7		 1yq7A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.17A 1yv5A-5ahuB:
33.0		 1yv5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 1yv5A-5ahuB:
33.0		 1yv5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.51A 1zw5A-5ahuB:
18.4		 1zw5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.16A 1zw5A-5ahuB:
18.4		 1zw5A-5ahuB:
33.42
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.
2A3A_A_TEPA1435_1
(CHITINASE)		 4asm BETA-AGARASE D
(Zobellia
galactanivorans) 		3 / 3 TRP B 202
GLU B 160
TYR B 162
 None
PEG  B1361 ( 3.7A)
None
 1.22A 2a3aA-4asmB:
undetectable		 2a3aA-4asmB:
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 1mu2 HIV-2 RT
(Human
immunodeficiency
virus
2) 		5 / 10 ALA B 101
GLN B 343
LEU B 325
LEU B 348
ARG B 384
 None
None
None
SO4  B1309 ( 3.6A)
None
 1.13A 2ceoB-1mu2B:
0.0		 2ceoB-1mu2B:
20.09
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.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.24A 2e91A-5ahuB:
22.0		 2e91A-5ahuB:
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.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.53A 2e91A-5ahuB:
22.0		 2e91A-5ahuB:
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.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.27A 2e91B-5ahuB:
22.2		 2e91B-5ahuB:
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.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.61A 2e91B-5ahuB:
22.2		 2e91B-5ahuB:
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.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
(Escherichia
coli) 		5 / 12 LEU B 258
ALA B 245
ILE B 247
ALA B 303
PHE B 287
 None
None
IOD  B1317 ( 4.9A)
None
None
 1.23A 2ejtA-5g5gB:
undetectable		 2ejtA-5g5gB:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.31A 2f89F-5ahuB:
16.6		 2f89F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 2f89F-5ahuB:
16.6		 2f89F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 11 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.16A 2f8cF-5ahuB:
16.8		 2f8cF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 11 LEU B 100
ARG B 112
THR B 217
TYR B 216
LYS B 269
 None
G76  B1368 (-2.8A)
None
None
G76  B1368 (-3.1A)
 1.45A 2f8cF-5ahuB:
16.8		 2f8cF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 2f8cF-5ahuB:
16.8		 2f8cF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.12A 2f8zF-5ahuB:
16.5		 2f8zF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.50A 2f8zF-5ahuB:
16.5		 2f8zF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		12 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 2f94F-5ahuB:
17.0		 2f94F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 2f9kF-5ahuB:
15.9		 2f9kF-5ahuB:
33.79
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.
2GL0_A_ADNA901_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		5 / 10 PHE B 116
HIS B 115
ASN B  45
ILE B  48
ALA B  44
 None
None
None
SO4  B1388 (-4.8A)
None
 1.34A 2gl0A-5a7vB:
undetectable
2gl0B-5a7vB:
undetectable		 2gl0A-5a7vB:
18.81
2gl0B-5a7vB:
18.81
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.
2GL0_D_ADND904_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE B 116
HIS B 115
ASN B  45
ILE B  48
ALA B  44
 None
None
None
SO4  B1388 (-4.8A)
None
 1.34A 2gl0D-5a7vB:
undetectable
2gl0E-5a7vB:
undetectable		 2gl0D-5a7vB:
18.81
2gl0E-5a7vB:
18.81
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.
2GL0_E_ADNE905_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		5 / 11 PHE B 116
HIS B 115
ASN B  45
ILE B  48
ALA B  44
 None
None
None
SO4  B1388 (-4.8A)
None
 1.31A 2gl0E-5a7vB:
undetectable
2gl0F-5a7vB:
undetectable		 2gl0E-5a7vB:
18.81
2gl0F-5a7vB:
18.81
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.
2H9T_H_SVRH301_1
(THROMBIN)		 1ukm EMS16 A CHAIN
EMS16 B CHAIN
(Echis
multisquamatus) 		5 / 11 PRO B  70
LYS A 102
GLN A 105
GLY A  71
GLU A  29
 None
GOL  B1303 (-3.0A)
None
None
None
 1.03A 2h9tH-1ukmB:
undetectable		 2h9tH-1ukmB:
17.97
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.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		 5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2
(Saccharomyces
cerevisiae) 		5 / 12 CYH B1166
LEU B1168
MET B1169
ILE B1162
LEU A1397
 ZN  B1301 (-2.2A)
None
None
None
None
 1.23A 2lbdA-5ip9B:
undetectable		 2lbdA-5ip9B:
12.80
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.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.60A 2o1oA-5ahuB:
13.2		 2o1oA-5ahuB:
24.75
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 0.99A 2o1oB-5ahuB:
14.2		 2o1oB-5ahuB:
24.75
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.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.63A 2o1oB-5ahuB:
14.2		 2o1oB-5ahuB:
24.75
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		5 / 12 PHE B 344
ILE B  98
GLU B 227
SER B 200
ASP B 142
 MAN  B1386 ( 4.1A)
MAN  B1386 ( 4.9A)
MAN  B1386 (-3.7A)
MAN  B1386 ( 4.3A)
MAN  B1386 (-3.1A)
 1.42A 2pgfA-5a7vB:
undetectable		 2pgfA-5a7vB:
22.35
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens) 		4 / 6 TYR B 844
TYR B 846
GLN B 870
ILE B 869
 NAG  B1304 ( 4.9A)
None
None
None
 1.21A 2pgzD-5gjeB:
undetectable
2pgzE-5gjeB:
undetectable		 2pgzD-5gjeB:
20.33
2pgzE-5gjeB:
20.33
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 256
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
None
 0.76A 2q58A-5ahuB:
27.1		 2q58A-5ahuB:
24.75
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.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 256
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
None
 0.70A 2q58A-5ahuB:
27.1		 2q58A-5ahuB:
24.75
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.12A 2q58B-5ahuB:
27.3		 2q58B-5ahuB:
24.75
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.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.74A 2q58B-5ahuB:
27.3		 2q58B-5ahuB:
24.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 2qisA-5ahuB:
32.9		 2qisA-5ahuB:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 2qisA-5ahuB:
32.9		 2qisA-5ahuB:
33.15
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 1tye INTEGRIN BETA-3
(Homo
sapiens) 		8 / 12 SER B 121
TYR B 122
SER B 123
TYR B 166
ARG B 214
ASN B 215
ALA B 218
GLU B 220
 MG  B1401 ( 2.1A)
None
MG  B1401 (-2.1A)
None
None
CA  B1403 ( 2.7A)
None
CAC  B1301 (-2.9A)
 0.54A 2vdmA-1tyeB:
0.0
2vdmB-1tyeB:
46.4		 2vdmA-1tyeB:
22.96
2vdmB-1tyeB:
100.00
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 ALA B 266
ALA B 293
SER B 270
ALA B 271
 None
None
None
ADP  B1343 ( 4.1A)
 0.82A 2vh3B-3zeuB:
undetectable		 2vh3B-3zeuB:
19.67
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.
3BF6_H_SVRH301_1
(THROMBIN, HEAVY
CHAIN)		 1ukm EMS16 A CHAIN
EMS16 B CHAIN
(Echis
multisquamatus) 		5 / 11 PRO B  70
LYS A 102
GLN A 105
GLY A  71
GLU A  29
 None
GOL  B1303 (-3.0A)
None
None
None
 1.10A 3bf6H-1ukmB:
undetectable		 3bf6H-1ukmB:
17.97
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.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 ILE B 199
THR B 266
PHE B  75
PHE C  45
 SF4  B1357 (-4.4A)
SF4  B1357 ( 4.6A)
None
None
 1.01A 3elzB-2ivfB:
undetectable		 3elzB-2ivfB:
17.28
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.
3EZ3_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.66A 3ez3A-5ahuB:
32.9		 3ez3A-5ahuB:
25.94
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.
3EZ3_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.55A 3ez3B-5ahuB:
23.5		 3ez3B-5ahuB:
25.94
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.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.67A 3ez3C-5ahuB:
32.9		 3ez3C-5ahuB:
25.94
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.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 3ez3C-5ahuB:
32.9		 3ez3C-5ahuB:
25.94
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.
3EZ3_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 3ez3D-5ahuB:
32.5		 3ez3D-5ahuB:
25.94
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 LEU B  19
LEU B 213
ARG B 217
 None
SF4  B1359 (-4.5A)
None
 0.75A 3hcnB-2ivfB:
undetectable		 3hcnB-2ivfB:
22.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IBA_A_ZOLA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.61A 3ibaA-5ahuB:
9.2		 3ibaA-5ahuB:
73.47
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.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.71A 3ldwA-5ahuB:
32.8		 3ldwA-5ahuB:
25.94
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.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.49A 3ldwA-5ahuB:
32.8		 3ldwA-5ahuB:
25.94
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.
3LDW_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 3ldwB-5ahuB:
32.6		 3ldwB-5ahuB:
25.94
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.
3LDW_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.66A 3ldwC-5ahuB:
32.8		 3ldwC-5ahuB:
25.94
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.
3LDW_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 3ldwD-5ahuB:
32.6		 3ldwD-5ahuB:
25.94
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		3 / 3 HIS B 111
HIS B 115
MET B 112
 ZN  B1339 ( 3.2A)
ZN  B1339 ( 3.3A)
AGS  B1342 (-3.2A)
 1.00A 3mihA-3zeuB:
undetectable		 3mihA-3zeuB:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.49A 3n45F-5ahuB:
16.6		 3n45F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 3n46F-5ahuB:
15.0		 3n46F-5ahuB:
33.79
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.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE
(Hedera
helix) 		4 / 5 GLN B 190
THR B 187
GLU B 138
THR B 135
 None
GVM  B1362 ( 3.8A)
FE  B1360 (-2.4A)
None
 1.40A 3n58A-2uw1B:
undetectable		 3n58A-2uw1B:
21.89
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		3 / 3 GLY B 210
ILE B 142
VAL B 143
 B13  B 500 (-3.6A)
B13  B 500 ( 4.4A)
None
 0.45A 3nv6A-2i2xB:
undetectable		 3nv6A-2i2xB:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		3 / 3 GLY B 228
ILE B 142
VAL B 143
 B13  B 500 (-4.4A)
B13  B 500 ( 4.4A)
None
 0.47A 3nv6A-2i2xB:
undetectable		 3nv6A-2i2xB:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3zh9 DELTA
(Bacillus
subtilis) 		5 / 12 LEU B  86
ALA B 133
VAL B  78
ILE B  79
LEU B  54
 None
GOL  B1347 ( 4.3A)
None
None
None
 1.28A 3uvvB-3zh9B:
undetectable		 3uvvB-3zh9B:
24.23
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ASN B 224
TRP B  42
GLN B 229
ASN B  40
 SF4  B1359 (-4.1A)
SF4  B1359 (-4.5A)
None
None
 1.31A 4d1yA-2ivfB:
undetectable
4d1yB-2ivfB:
undetectable		 4d1yA-2ivfB:
21.15
4d1yB-2ivfB:
21.15
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.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.20A 4d7hA-2ivfA:
undetectable		 4d7hA-2ivfA:
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		4 / 8 GLY B 367
ASN B  45
PRO B  75
ILE B  48
 None
None
None
SO4  B1388 (-4.8A)
 0.94A 4j4vC-5a7vB:
undetectable		 4j4vC-5a7vB:
19.95
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.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		3 / 3 HIS B 111
GLY B 302
ILE B 305
 ZN  B1339 ( 3.2A)
None
None
 0.60A 4k50A-3zeuB:
undetectable		 4k50A-3zeuB:
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.
4K50_J_ACTJ701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		3 / 3 HIS B 111
GLY B 302
ILE B 305
 ZN  B1339 ( 3.2A)
None
None
 0.64A 4k50I-3zeuB:
undetectable		 4k50I-3zeuB:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KFA_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4kfaA-5ahuB:
16.1		 4kfaA-5ahuB:
30.79
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 6 SER B   9
GLY B 163
ASP B 167
GLY B 268
 AGS  B1342 ( 4.9A)
ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
 0.88A 4koeA-3zeuB:
undetectable
4koeB-3zeuB:
undetectable
4koeC-3zeuB:
undetectable		 4koeA-3zeuB:
23.53
4koeB-3zeuB:
23.53
4koeC-3zeuB:
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.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 7 SER B   9
GLY B 163
ASP B 167
GLY B 268
 AGS  B1342 ( 4.9A)
ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
 0.86A 4koeA-3zeuB:
undetectable
4koeB-3zeuB:
undetectable
4koeD-3zeuB:
undetectable		 4koeA-3zeuB:
23.53
4koeB-3zeuB:
23.53
4koeD-3zeuB:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 4kpdA-5ahuB:
33.8		 4kpdA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4kpjA-5ahuB:
16.4		 4kpjA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.32A 4kpjA-5ahuB:
16.4		 4kpjA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4kq5A-5ahuB:
16.6		 4kq5A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4kqsA-5ahuB:
33.7		 4kqsA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4kqsA-5ahuB:
33.7		 4kqsA-5ahuB:
30.79
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.
4LRH_A_FOLA301_1
(FOLATE RECEPTOR
ALPHA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		3 / 3 ASP B 300
TRP B 329
SER B 136
 ZN  B1339 ( 2.5A)
None
AGS  B1342 (-2.9A)
 1.05A 4lrhA-3zeuB:
undetectable		 4lrhA-3zeuB:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 213
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
 1.22A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4ng6A-5ahuB:
18.6		 4ng6A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 4ng6A-5ahuB:
18.6		 4ng6A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4nkeA-5ahuB:
33.1		 4nkeA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4nkeA-5ahuB:
33.1		 4nkeA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4nkfA-5ahuB:
16.6		 4nkfA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.36A 4nkfA-5ahuB:
16.6		 4nkfA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.29A 4nuaA-5ahuB:
12.3		 4nuaA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.58A 4nuaA-5ahuB:
12.3		 4nuaA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.22A 4oguA-5ahuB:
17.5		 4oguA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.32A 4oguA-5ahuB:
17.5		 4oguA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P0V_A_ZOLA401_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 4p0vA-5ahuB:
16.6		 4p0vA-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 11 LEU B 100
ARG B 112
THR B 217
TYR B 216
LYS B 269
 None
G76  B1368 (-2.8A)
None
None
G76  B1368 (-3.1A)
 1.48A 4p0wA-5ahuB:
17.6		 4p0wA-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 4p0wA-5ahuB:
17.6		 4p0wA-5ahuB:
33.79
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 7 GLU A 316
THR A  85
LEU A  58
SER A 314
 None
None
None
B13  B 500 ( 3.8A)
 1.04A 4pfjA-2i2xA:
undetectable		 4pfjA-2i2xA:
25.84
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 7 THR B  79
THR B 299
LEU B  29
ASN B  27
 None
AGS  B1342 (-4.1A)
None
None
 1.11A 4pfjA-3zeuB:
undetectable		 4pfjA-3zeuB:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.17A 4q23A-5ahuB:
11.9		 4q23A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4q23A-5ahuB:
11.9		 4q23A-5ahuB:
30.79
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.
4QW1_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		5 / 11 ALA B 165
GLY B 137
GLY B 138
ALA B 161
SER B 157
 None
ADP  B1343 (-3.5A)
AGS  B1342 (-3.2A)
None
None
 0.89A 4qw1K-3zeuB:
undetectable
4qw1L-3zeuB:
undetectable		 4qw1K-3zeuB:
21.96
4qw1L-3zeuB:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4rxdA-5ahuB:
41.7		 4rxdA-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 4rxdA-5ahuB:
41.7		 4rxdA-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.19A 4rxdB-5ahuB:
19.8		 4rxdB-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4rxdB-5ahuB:
19.8		 4rxdB-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.21A 4rxdC-5ahuB:
41.7		 4rxdC-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4rxdC-5ahuB:
41.7		 4rxdC-5ahuB:
100.00
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.
4UCK_B_SAMB2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens) 		4 / 6 GLU B 697
ASP B 673
ASP B 668
ASP B 735
 None
NAG  B1302 ( 4.8A)
None
None
 1.03A 4uckB-5gjeB:
undetectable		 4uckB-5gjeB:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.15A 4uglA-2ivfA:
undetectable		 4uglA-2ivfA:
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN
HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN
(Influenza
C
virus;
Influenza
C
virus) 		5 / 12 SER B  58
ARG B 100
PHE A  34
GLY B  97
LEU B 103
 NAG  B1300 ( 4.0A)
None
None
None
None
 1.17A 4uinH-1flcB:
0.0
4uinL-1flcB:
0.0		 4uinH-1flcB:
21.19
4uinL-1flcB:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 8 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
 0.61A 4umjA-5ahuB:
16.8		 4umjA-5ahuB:
23.99
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
 0.51A 4umjB-5ahuB:
9.4		 4umjB-5ahuB:
23.99
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.42A 4w5qA-2i2xB:
5.6		 4w5qA-2i2xB:
15.78
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.38A 4w5rA-2i2xB:
5.7		 4w5rA-2i2xB:
15.78
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.39A 4w5tA-2i2xB:
5.6		 4w5tA-2i2xB:
15.78
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.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 CYH B  28
ASN B 129
LEU A 867
TYR B 146
 SF4  B1358 (-2.2A)
None
None
None
 1.16A 4wcxC-2ivfB:
undetectable		 4wcxC-2ivfB:
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.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 4asm BETA-AGARASE D
(Zobellia
galactanivorans) 		3 / 3 ARG B 133
ASP B 349
TRP B 350
 None
CA  B1359 (-3.3A)
None
 0.16A 4xdqA-4asmB:
17.6		 4xdqA-4asmB:
26.81
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.41A 4z4cA-2i2xB:
5.7		 4z4cA-2i2xB:
15.78
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.42A 4z4fA-2i2xB:
5.5		 4z4fA-2i2xB:
15.78
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 5 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.41A 4z4gA-2i2xB:
5.2		 4z4gA-2i2xB:
15.78
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		4 / 6 ASP B 134
ALA B 213
THR B 187
THR B 186
 B13  B 500 (-4.3A)
B13  B 500 ( 4.8A)
None
None
 1.43A 4z4iA-2i2xB:
5.7		 4z4iA-2i2xB:
15.78
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 6 GLY B 163
ASP B 167
GLY B 268
SER B   9
 ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
AGS  B1342 ( 4.9A)
 0.84A 4z53A-3zeuB:
undetectable
4z53B-3zeuB:
undetectable		 4z53A-3zeuB:
19.05
4z53B-3zeuB:
19.05
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 7 GLY B 163
ASP B 167
GLY B 268
SER B   9
 ADP  B1343 (-3.3A)
ADP  B1343 (-2.9A)
AGS  B1342 (-3.1A)
AGS  B1342 ( 4.9A)
 0.86A 4z53A-3zeuB:
undetectable
4z53B-3zeuB:
undetectable		 4z53A-3zeuB:
19.05
4z53B-3zeuB:
19.05
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.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zyj NETRIN-G1
(Homo
sapiens) 		4 / 7 ILE B 160
ARG B 275
THR B 145
LEU B 146
 None
NAG  B1370 (-3.2A)
None
None
 0.99A 5b3sA-3zyjB:
undetectable
5b3sJ-3zyjB:
undetectable		 5b3sA-3zyjB:
22.06
5b3sJ-3zyjB:
9.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.21A 5cg5A-5ahuB:
16.7		 5cg5A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		12 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 5cg5A-5ahuB:
16.7		 5cg5A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 5cg6A-5ahuB:
16.8		 5cg6A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 5cg6A-5ahuB:
16.8		 5cg6A-5ahuB:
33.79
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.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 LEU B 100
ASP B 103
ARG B 112
LYS B 212
GLN B 252
LYS B 269
 None
MG  B1370 (-2.5A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
G76  B1368 (-3.1A)
 1.22A 5eroA-5ahuB:
24.1		 5eroA-5ahuB:
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.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.55A 5eroA-5ahuB:
24.1		 5eroA-5ahuB:
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ARG B 112
LYS B 212
GLN B 252
ASP B 256
LYS B 269
 MG  B1370 (-2.5A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
None
G76  B1368 (-3.1A)
 1.17A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
ASP B 256
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 0.48A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
ASP B 256
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 1.27A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 ASP B 103
ASP B 104
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
ASP B 256
 MG  B1370 (-2.5A)
G76  B1368 ( 4.7A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 0.55A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 10 ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 256
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
None
G76  B1368 (-3.1A)
 0.93A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 103
ASP B 107
LYS B 212
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 1.49A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 10 ASP B 107
ASP B 104
ARG B 112
GLN B 252
ASP B 255
ASP B 256
 MG  B1369 (-2.2A)
G76  B1368 ( 4.7A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 1.29A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
(Escherichia
coli) 		3 / 3 THR B  62
ASP B  63
ALA B  64
 ACT  B1321 (-4.0A)
ACT  B1321 (-4.9A)
ACT  B1321 (-3.4A)
 0.00A 5g5gB-5g5gB:
56.9		 5g5gB-5g5gB:
100.00
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.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.21A 5g6cA-2ivfA:
undetectable		 5g6cA-2ivfA:
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.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 3zh9 DELTA
(Bacillus
subtilis) 		4 / 6 VAL B  17
CYH B  19
HIS B 137
LEU B 134
 None
None
GOL  B1347 (-3.8A)
None
 1.22A 5hrqH-3zh9B:
undetectable
5hrqK-3zh9B:
undetectable
5hrqL-3zh9B:
undetectable		 5hrqH-3zh9B:
6.25
5hrqK-3zh9B:
4.52
5hrqL-3zh9B:
6.25
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 PRO B 178
GLY B 180
PRO B 181
ASP B 167
 None
AGS  B1342 (-3.4A)
AGS  B1342 (-3.8A)
ADP  B1343 (-2.9A)
 0.92A 5kf8A-3zeuB:
undetectable		 5kf8A-3zeuB:
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 PRO B 178
GLY B 180
PRO B 181
ASP B 167
 None
AGS  B1342 (-3.4A)
AGS  B1342 (-3.8A)
ADP  B1343 (-2.9A)
 0.98A 5kgpA-3zeuB:
undetectable		 5kgpA-3zeuB:
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 PRO B 178
GLY B 180
PRO B 181
ASP B 167
 None
AGS  B1342 (-3.4A)
AGS  B1342 (-3.8A)
ADP  B1343 (-2.9A)
 0.96A 5kgpB-3zeuB:
undetectable		 5kgpB-3zeuB:
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.
5MSD_A_BEZA1202_0
(CARBOXYLIC ACID
REDUCTASE)		 5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
(Homo
sapiens) 		4 / 5 HIS B 225
ILE B 233
PHE B 218
ALA B 277
 None
None
GOL  B1321 ( 4.9A)
None
 1.22A 5msdA-5a1nB:
undetectable		 5msdA-5a1nB:
11.68
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		3 / 3 SER B 200
SER B 202
PHE B 344
 MAN  B1386 ( 4.3A)
None
MAN  B1386 ( 4.1A)
 0.90A 5mugA-5a7vB:
undetectable		 5mugA-5a7vB:
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 1e4e VANCOMYCIN/TEICOPLAN
IN A-TYPE RESISTANCE
PROTEIN VANA
(Enterococcus
faecium) 		3 / 3 LYS B 203
LYS B 133
SER B 134
 SO4  B1342 (-3.0A)
ADP  B 350 (-2.9A)
None
 1.27A 5odiA-1e4eB:
3.9		 5odiA-1e4eB:
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens) 		3 / 3 GLY B1049
THR B1041
ASN B1039
 None
NAG  B1307 (-2.9A)
NAG  B1307 (-1.7A)
 0.65A 5odiG-5gjeB:
undetectable		 5odiG-5gjeB:
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 MET B 276
GLU B 318
ARG B 317
 PO4  B1354 ( 4.8A)
None
PO4  B1354 (-3.9A)
 1.12A 5tjzA-2ivfB:
undetectable		 5tjzA-2ivfB:
21.67
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.
5TRQ_B_ACTB307_0
(WELO5)		 3zh9 DELTA
(Bacillus
subtilis) 		3 / 3 GLU B 188
HIS B 181
VAL B 178
 None
SO4  B1340 ( 3.9A)
None
 0.86A 5trqB-3zh9B:
undetectable		 5trqB-3zh9B:
20.91
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.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		4 / 5 THR C 720
GLU C 660
HIS C 654
LEU C 642
 None
GOL  B1323 (-4.5A)
None
None
 1.12A 5utuH-5g5gC:
undetectable		 5utuH-5g5gC:
22.39
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.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zyj NETRIN-G1
(Homo
sapiens) 		4 / 7 ILE B 160
ARG B 275
THR B 145
LEU B 146
 None
NAG  B1370 (-3.2A)
None
None
 0.85A 5xdqA-3zyjB:
undetectable
5xdqJ-3zyjB:
undetectable		 5xdqA-3zyjB:
22.06
5xdqJ-3zyjB:
9.43
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.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 5 PHE A  94
ASP B 347
GLU A 107
ASN B 224
 SF4  A1984 (-4.6A)
GOL  B1353 (-4.2A)
None
SF4  B1359 (-4.1A)
 1.44A 5ybbA-2ivfA:
1.3		 5ybbA-2ivfA:
19.02
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 4asm BETA-AGARASE D
(Zobellia
galactanivorans) 		5 / 11 HIS B 179
HIS B 183
VAL B 184
SER B 181
ASP B 299
 PEG  B1361 (-4.2A)
None
None
None
None
 1.11A 5z0fA-4asmB:
undetectable
5z0fB-4asmB:
undetectable		 5z0fA-4asmB:
13.37
5z0fB-4asmB:
12.40
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 4asm BETA-AGARASE D
(Zobellia
galactanivorans) 		5 / 11 HIS B 179
HIS B 183
VAL B 184
SER B 181
ASP B 299
 PEG  B1361 (-4.2A)
None
None
None
None
 1.15A 5z0gA-4asmB:
undetectable
5z0gB-4asmB:
undetectable		 5z0gA-4asmB:
13.37
5z0gB-4asmB:
12.40
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.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT
(Geobacillus
stearothermophil
us) 		5 / 9 ALA A 152
PHE A 181
GLY A 145
SER B  60
GLY B  64
 None
None
None
MG  B1326 ( 4.7A)
None
 1.08A 6awoA-1w85A:
undetectable		 6awoA-1w85A:
21.65
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.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT
(Geobacillus
stearothermophil
us) 		5 / 9 ALA A 152
PHE A 181
GLY A 145
SER B  60
GLY B  64
 None
None
None
MG  B1326 ( 4.7A)
None
 1.09A 6awqA-1w85A:
undetectable		 6awqA-1w85A:
21.65
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		 5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
(Homo
sapiens) 		3 / 3 ALA B 277
PHE B 218
GLN B 223
 None
GOL  B1321 ( 4.9A)
GOL  B1321 (-3.2A)
 0.82A 6eceA-5a1nB:
undetectable		 6eceA-5a1nB:
22.40
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_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		5 / 12 ASP B 300
HIS B  51
LEU B  88
GLY B  81
HIS B 111
 ZN  B1339 ( 2.5A)
None
None
None
ZN  B1339 ( 3.2A)
 1.34A 6exiD-3zeuB:
undetectable		 6exiD-3zeuB:
15.41
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 2i2x METHYLTRANSFERASE 1
(Methanosarcina
barkeri) 		5 / 6 ALA A 221
SER A 187
GLY A 192
ILE A 199
PHE A 146
 B13  B 500 ( 3.8A)
None
None
None
None
 1.49A 6f8cA-2i2xA:
undetectable		 6f8cA-2i2xA:
11.53
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED
(Bacteroides
thetaiotaomicron) 		4 / 4 LEU B 105
ASP B 142
PRO B 143
ARG B  89
 None
MAN  B1386 (-3.1A)
None
MAN  B1485 ( 2.7A)
 1.10A 6fgdA-5a7vB:
undetectable		 6fgdA-5a7vB:
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.
6G1P_A_ACTA403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 4asm BETA-AGARASE D
(Zobellia
galactanivorans) 		3 / 3 TYR B 194
ASP B 193
GLN B 195
 None
None
PEG  B1361 (-3.0A)
 0.89A 6g1pA-4asmB:
undetectable		 6g1pA-4asmB:
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.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 1.03A 6g31A-5ahuB:
22.8		 6g31A-5ahuB:
13.60
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.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 6 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.76A 6g31B-5ahuB:
23.0		 6g31B-5ahuB:
13.60
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.
6G31_C_ZOLC401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 5 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
 1.24A 6g31C-5ahuB:
23.1		 6g31C-5ahuB:
13.60
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.65A 6g31D-5ahuB:
23.4		 6g31D-5ahuB:
13.60
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.
6G31_E_ZOLE401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 LEU B 100
ASP B 103
ASP B 107
ARG B 112
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
 0.33A 6g31E-5ahuB:
18.2		 6g31E-5ahuB:
13.60
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.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 5 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.72A 6g31F-5ahuB:
23.2		 6g31F-5ahuB:
13.60
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.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 0.59A 6g31G-5ahuB:
21.9		 6g31G-5ahuB:
13.60
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.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 ASP B 103
ASP B 107
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.70A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
13.60
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.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 ASP B 103
ASP B 107
GLN B 172
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
MG  B1369 (-3.6A)
 1.26A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
13.60
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.
6G31_I_ZOLI401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 ASP B 103
ASP B 107
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 0.88A 6g31I-5ahuB:
21.9		 6g31I-5ahuB:
13.60
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 6 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.95A 6g31J-5ahuB:
23.3		 6g31J-5ahuB:
13.60
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.
6G31_K_ZOLK401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 ASP B 103
ASP B 107
ARG B 112
GLN B 172
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
 0.62A 6g31K-5ahuB:
20.9		 6g31K-5ahuB:
13.60
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.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 6 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
MG  B1369 (-3.6A)
 1.12A 6g31L-5ahuB:
22.7		 6g31L-5ahuB:
13.60
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.
6GNG_B_QPSB601_3
(-)		 5fww KREMEN PROTEIN 1
(Homo
sapiens) 		3 / 3 ASP B 306
ASP B 260
ASN B  36
 CA  B1323 (-3.5A)
None
None
 0.75A 6gngB-5fwwB:
undetectable		 6gngB-5fwwB:
17.51
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 HIS B  51
HIS B 110
GLU B   7
ASP B 300
 None
None
None
ZN  B1339 ( 2.5A)
 1.05A 6mn4B-3zeuB:
undetectable		 6mn4B-3zeuB:
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.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 HIS B  51
HIS B 110
GLU B   7
ASP B 300
 None
None
None
ZN  B1339 ( 2.5A)
 0.95A 6mn4C-3zeuB:
undetectable		 6mn4C-3zeuB:
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.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP
(Salmonella
enterica) 		4 / 8 HIS B  51
HIS B 110
GLU B   7
ASP B 300
 None
None
None
ZN  B1339 ( 2.5A)
 1.03A 6mn4D-3zeuB:
undetectable		 6mn4D-3zeuB:
23.51