SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '368'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		5 / 8 HIS A  57
ASP A 189
SER A 195
GLY A 216
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.44A 1aq7A-1zlrA:
33.5		 1aq7A-1zlrA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		6 / 9 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-3.7A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.32A 1bcuH-1zlrA:
35.6		 1bcuH-1zlrA:
37.02
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 2g5c PREPHENATE
DEHYDROGENASE
(Aquifex
aeolicus) 		5 / 9 VAL A  36
GLY A  37
ASP A  62
ILE A  63
GLU A 106
 None
NAD  A3686 (-3.6A)
NAD  A3686 (-2.8A)
NAD  A3686 (-3.9A)
NAD  A3686 ( 4.4A)
 0.76A 1cetA-2g5cA:
9.9		 1cetA-2g5cA:
24.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-1.4A)
None
368  A 901 (-3.5A)
 0.28A 1dwcH-1zlrA:
34.9		 1dwcH-1zlrA:
37.02
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 5 HIS A  23
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.82A 1e9yB-3rhgA:
15.0		 1e9yB-3rhgA:
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.
1EIZ_A_SAMA301_0
(FTSJ)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 106
PRO A 117
GLY A 115
GLY A 114
LEU A 134
 GDP  A1368 (-3.6A)
None
None
None
None
 0.99A 1eizA-4b46A:
4.6		 1eizA-4b46A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EJ0_A_SAMA301_0
(FTSJ)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 106
PRO A 117
GLY A 115
GLY A 114
LEU A 134
 GDP  A1368 (-3.6A)
None
None
None
None
 1.00A 1ej0A-4b46A:
undetectable		 1ej0A-4b46A:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		6 / 12 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.43A 1etrH-1zlrA:
34.8		 1etrH-1zlrA:
37.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 8 ASP A 189
SER A 195
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.43A 1f5lA-1zlrA:
35.2		 1f5lA-1zlrA:
34.77
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 7 ASN A 131
TRP A 130
TYR A  55
ARG A  48
 GAL  A 368 (-3.7A)
GAL  A 368 ( 4.0A)
SO4  A 370 ( 4.2A)
GAL  A 368 ( 3.0A)
 1.25A 1f9gA-2rjoA:
undetectable		 1f9gA-2rjoA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 7 ASN A 131
TRP A 130
TYR A  55
ASN A 183
 GAL  A 368 (-3.7A)
GAL  A 368 ( 4.0A)
SO4  A 370 ( 4.2A)
GAL  A 368 (-4.3A)
 1.47A 1f9gA-2rjoA:
undetectable		 1f9gA-2rjoA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		 3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens) 		5 / 12 LEU A  75
LEU A  74
HIS A 121
TYR A 118
ILE A  91
 None
None
None
EDO  A1368 (-3.5A)
None
 1.35A 1fmlA-3zwfA:
undetectable		 1fmlA-3zwfA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		5 / 6 HIS A  23
HIS A  25
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.80A 1fweC-3rhgA:
15.1		 1fweC-3rhgA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		 1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
(Geobacillus
stearothermophil
us) 		4 / 6 ASN A 202
PHE A 266
GLY A 269
TYR A 268
 MG  A1368 ( 2.9A)
None
None
None
 0.96A 1gfzA-1w85A:
undetectable		 1gfzA-1w85A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 7 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 368  A 901 (-3.6A)
None
368  A 901 (-4.0A)
None
 1.00A 1gxsA-1zlrA:
undetectable
1gxsB-1zlrA:
undetectable		 1gxsA-1zlrA:
22.02
1gxsB-1zlrA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 6 PRO A 105
ASP A 333
ASP A 335
TRP A 336
 None
None
None
BGC  A1368 (-3.8A)
 1.50A 1hpkA-5a8qA:
undetectable		 1hpkA-5a8qA:
9.40
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		5 / 12 TYR A 126
GLU A 166
HIS A 199
HIS A  23
ASP A 294
 UNL  A 372 (-4.3A)
ZN  A 368 (-2.5A)
ZN  A 368 (-3.1A)
ZN  A 367 ( 3.2A)
CAC  A 370 (-2.4A)
 1.01A 1ituA-3rhgA:
15.7		 1ituA-3rhgA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		5 / 12 TYR A 126
GLU A 166
HIS A 199
HIS A  23
ASP A 294
 UNL  A 372 (-4.3A)
ZN  A 368 (-2.5A)
ZN  A 368 (-3.1A)
ZN  A 367 ( 3.2A)
CAC  A 370 (-2.4A)
 1.01A 1ituB-3rhgA:
15.8		 1ituB-3rhgA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG2_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 112
GLY A 106
LEU A 107
GLY A  75
VAL A 103
 GDP  A1368 (-3.5A)
GDP  A1368 (-3.6A)
None
None
None
 1.19A 1jg2A-4b46A:
undetectable		 1jg2A-4b46A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		3 / 3 ASP A 294
HIS A 229
HIS A  23
 CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
 0.64A 1oe1A-3rhgA:
undetectable		 1oe1A-3rhgA:
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.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		3 / 3 ASP A 294
HIS A 229
HIS A  23
 CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
 0.65A 1oe3A-3rhgA:
undetectable		 1oe3A-3rhgA:
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.
1ONI_G_BEZG513_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		4 / 5 PHE A  61
ARG A 339
ILE A  20
GLU A  19
 None
EDO  A1368 (-3.5A)
None
None
 1.48A 1oniG-4aukA:
1.1
1oniH-4aukA:
undetectable		 1oniG-4aukA:
15.63
1oniH-4aukA:
15.63
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.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 6 GLY A 142
GLN A 156
VAL A 138
ALA A 190
 None
None
None
368  A 901 (-3.7A)
 0.80A 1p6kA-1zlrA:
undetectable		 1p6kA-1zlrA:
19.01
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.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 ASP A 333
ASP A 335
TRP A 336
HIS A 107
 None
None
BGC  A1368 (-3.8A)
BGC  A1368 (-3.9A)
 1.18A 1pk2A-5a8qA:
undetectable		 1pk2A-5a8qA:
15.05
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.
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 6 ASP A 189
SER A 195
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.27A 1tnlA-1zlrA:
33.7		 1tnlA-1zlrA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 HIS A 315
LEU A 399
THR A 333
SER A 368
GLN A 369
 HIS  A 315 ( 1.0A)
LEU  A 399 ( 0.6A)
THR  A 333 ( 0.8A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 1.31A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
HIS A 204
MET A 273
LEU A 319
ASN A 321
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
HIS  A 204 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.54A 1xlxA-3sl5A:
51.0		 1xlxA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XLX_B_CIOB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		10 / 12 TYR A 159
HIS A 160
HIS A 204
MET A 273
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
HIS  A 204 ( 1.0A)
MET  A 273 (-0.0A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.74A 1xlxB-3sl5A:
51.1		 1xlxB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_A_ROFA101_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.61A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XMU_B_ROFB102_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
PHE A 340
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
ILE  A 336 ( 0.4A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.44A 1xmuB-3sl5A:
51.1		 1xmuB-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_A_CIOA603_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.57A 1xomA-3sl5A:
53.0		 1xomA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
THR A 333
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.59A 1xomB-3sl5A:
52.8		 1xomB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.54A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_A_ROFA502_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TYR A 329
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.52A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.49A 1xoqB-3sl5A:
53.4		 1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOQ_B_ROFB501_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.50A 1xoqB-3sl5A:
53.4		 1xoqB-3sl5A:
94.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
MET A 357
SER A 368
GLN A 369
PHE A 372
ILE A 376
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
ILE  A 376 (-0.6A)
 0.74A 1xotA-3sl5A:
50.9		 1xotA-3sl5A:
84.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
LEU  A 319 ( 0.6A)
ASN  A 321 (-0.6A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 355 ( 0.0A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.73A 1xotB-3sl5A:
50.9		 1xotB-3sl5A:
84.81
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
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.
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
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE
(Shewanella
denitrificans) 		4 / 5 THR A  72
SER A 119
PRO A 157
SER A 118
 None
None
None
PEG  A 368 ( 4.5A)
 1.26A 2hdnA-3rf7A:
undetectable
2hdnB-3rf7A:
undetectable
2hdnD-3rf7A:
undetectable		 2hdnA-3rf7A:
9.19
2hdnB-3rf7A:
21.05
2hdnD-3rf7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 THR A  87
SER A 369
PRO A  52
SER A 368
 THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
SER  A 368 ( 0.0A)
 1.45A 2hdnA-4kqnA:
undetectable
2hdnB-4kqnA:
3.2
2hdnD-4kqnA:
3.6		 2hdnA-4kqnA:
7.37
2hdnB-4kqnA:
22.64
2hdnD-4kqnA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE
(Shewanella
denitrificans) 		4 / 5 SER A 118
THR A  72
SER A 119
PRO A 157
 PEG  A 368 ( 4.5A)
None
None
None
 1.28A 2hdnB-3rf7A:
undetectable
2hdnC-3rf7A:
undetectable
2hdnD-3rf7A:
undetectable		 2hdnB-3rf7A:
21.05
2hdnC-3rf7A:
9.19
2hdnD-3rf7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 SER A 368
THR A  87
SER A 369
PRO A  52
 SER  A 368 ( 0.0A)
THR  A  87 ( 0.8A)
SER  A 369 ( 0.0A)
PRO  A  52 ( 1.1A)
 1.45A 2hdnB-4kqnA:
3.2
2hdnC-4kqnA:
undetectable
2hdnD-4kqnA:
3.3		 2hdnB-4kqnA:
22.64
2hdnC-4kqnA:
7.37
2hdnD-4kqnA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE
(Shewanella
denitrificans) 		4 / 6 THR A  72
SER A 119
PRO A 157
SER A 118
 None
None
None
PEG  A 368 ( 4.5A)
 1.24A 2hdnI-3rf7A:
undetectable
2hdnJ-3rf7A:
undetectable
2hdnL-3rf7A:
undetectable		 2hdnI-3rf7A:
9.19
2hdnJ-3rf7A:
21.05
2hdnL-3rf7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE
(Shewanella
denitrificans) 		4 / 6 SER A 118
THR A  72
SER A 119
PRO A 157
 PEG  A 368 ( 4.5A)
None
None
None
 1.24A 2hdnJ-3rf7A:
undetectable
2hdnK-3rf7A:
undetectable
2hdnL-3rf7A:
undetectable		 2hdnJ-3rf7A:
21.05
2hdnK-3rf7A:
9.19
2hdnL-3rf7A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 6 ASN A 368
ILE A 375
GLN A 371
THR A  37
 ASN  A 368 ( 0.6A)
ILE  A 375 ( 0.7A)
GLN  A 371 ( 0.6A)
THR  A  37 ( 0.8A)
 1.26A 2hkkA-3r6yA:
undetectable		 2hkkA-3r6yA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 PHE A 167
GLY A 135
ASN A 169
ILE A 186
VAL A 228
 None
None
GDP  A1368 (-3.3A)
GDP  A1368 (-4.2A)
None
 1.02A 2hmyB-4b46A:
4.1		 2hmyB-4b46A:
21.45
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		 1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE
(Neurospora
crassa) 		3 / 3 HIS A   3
ILE A 336
LEU A  26
 BME  A 368 (-3.3A)
None
None
 0.71A 2kceA-1jofA:
undetectable		 2kceA-1jofA:
20.69
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.
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 6 ASP A 189
SER A 195
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.28A 2otvA-1zlrA:
33.9		 2otvA-1zlrA:
39.67
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 114
GLY A  12
GLY A   9
GLY A 110
VAL A 104
 None
None
GDP  A1368 (-3.3A)
GDP  A1368 (-3.6A)
None
 1.04A 2oxtA-4b46A:
undetectable		 2oxtA-4b46A:
24.94
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.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		6 / 12 GLY A 142
GLY A  42
GLY A 196
GLY A 193
THR A  54
LEU A  53
 None
None
None
368  A 901 (-3.3A)
None
None
 1.40A 2oxtD-1zlrA:
undetectable		 2oxtD-1zlrA:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		7 / 12 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 368  A 901 (-2.8A)
368  A 901 (-3.7A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
None
 0.37A 2p16A-1zlrA:
35.1		 2p16A-1zlrA:
34.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Streptomyces
coelicolor) 		5 / 12 ASN A 312
ILE A 247
ILE A 236
PHE A 338
HIS A 261
 None
None
RMN  A1369 ( 4.8A)
None
CO  A1368 ( 3.3A)
 1.42A 2qmjA-3zgjA:
undetectable		 2qmjA-3zgjA:
18.09
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.
2V0Z_O_C41O1327_2
(RENIN)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 TYR A 368
THR A 367
LEU A 225
THR A 351
 TYR  A 368 ( 1.3A)
THR  A 367 ( 0.8A)
LEU  A 225 ( 0.6A)
THR  A 351 ( 0.8A)
 1.09A 2v0zO-2ogsA:
undetectable		 2v0zO-2ogsA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 8 ASP A 189
SER A 195
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.39A 2vinA-1zlrA:
10.2		 2vinA-1zlrA:
34.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		8 / 12 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 218
GLY A 226
TYR A 228
 368  A 901 (-2.8A)
368  A 901 (-3.7A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-4.3A)
368  A 901 (-3.5A)
None
 0.43A 2w26A-1zlrA:
35.0		 2w26A-1zlrA:
34.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		3 / 3 ASP A 294
HIS A 229
HIS A  23
 CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
 0.66A 2xxgA-3rhgA:
undetectable		 2xxgA-3rhgA:
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.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		3 / 3 ASP A 294
HIS A 229
HIS A  23
 CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
 0.66A 2xxgC-3rhgA:
undetectable		 2xxgC-3rhgA:
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		 2hcm DUAL SPECIFICITY
PROTEIN PHOSPHATASE
(Mus
musculus) 		4 / 5 ALA A 104
GLY A  98
CYH A  95
LYS A  96
 None
None
None
ZN  A 368 (-4.0A)
 1.25A 2ylgA-2hcmA:
undetectable		 2ylgA-2hcmA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_1
(HYPOTHETICAL PROTEIN)		 3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1
(Streptomyces
antibioticus) 		4 / 4 GLY A 141
GLU A 144
ASP A 146
TYR A 213
 ACE  A 368 (-3.3A)
ACE  A 368 (-3.1A)
None
None
 1.03A 2yvlC-3h4xA:
undetectable		 2yvlC-3h4xA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUL_A_SAMA376_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 106
GLY A 108
ALA A  70
VAL A 104
VAL A  15
 GDP  A1368 (-3.6A)
GDP  A1368 ( 3.8A)
None
None
None
 1.04A 2zulA-4b46A:
3.5		 2zulA-4b46A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BCR_A_AZZA940_1
(GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM)		 1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
(Geobacillus
stearothermophil
us) 		4 / 5 ASN A 202
PHE A 266
GLY A 269
TYR A 268
 MG  A1368 ( 2.9A)
None
None
None
 1.02A 3bcrA-1w85A:
undetectable		 3bcrA-1w85A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)		 2g5c PREPHENATE
DEHYDROGENASE
(Aquifex
aeolicus) 		4 / 5 ASP A  62
ILE A  58
ILE A  68
GLY A  37
 NAD  A3686 (-2.8A)
None
None
NAD  A3686 (-3.6A)
 0.90A 3bufA-2g5cA:
undetectable		 3bufA-2g5cA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 106
GLY A 108
ALA A  70
VAL A 104
VAL A  15
 GDP  A1368 (-3.6A)
GDP  A1368 ( 3.8A)
None
None
None
 1.02A 3dmfA-4b46A:
3.8		 3dmfA-4b46A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 106
GLY A 108
ALA A  70
VAL A 104
VAL A  15
 GDP  A1368 (-3.6A)
GDP  A1368 ( 3.8A)
None
None
None
 1.02A 3dmhA-4b46A:
2.6		 3dmhA-4b46A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 2bi3 PHOSPHOSERINE
AMINOTRANSFERASE
(Bacillus
alcalophilus) 		3 / 3 GLU A 104
SER A 329
VAL A 330
 PEG  A1368 (-3.5A)
None
None
 0.79A 3eeoA-2bi3A:
undetectable		 3eeoA-2bi3A:
21.34
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.
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.
3FI0_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2uwf ALKALINE ACTIVE
ENDOXYLANASE
(Bacillus
halodurans) 		5 / 9 GLN A 291
ASP A 360
ILE A 359
VAL A 351
GLN A  12
 None
CA  A1368 (-3.0A)
None
None
None
 1.25A 3fi0F-2uwfA:
undetectable		 3fi0F-2uwfA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		10 / 12 TYR A 159
HIS A 160
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
SER A 368
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 357 (-0.0A)
SER  A 368 (-0.0A)
 0.52A 3g4lA-3sl5A:
53.4		 3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_A_ROFA901_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		11 / 12 TYR A 159
HIS A 160
MET A 273
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
SER A 368
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
PRO  A 322 (-1.1A)
TYR  A 329 (-1.3A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
SER  A 368 (-0.0A)
PHE  A 372 (-1.3A)
 0.44A 3g4lA-3sl5A:
53.4		 3g4lA-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		3 / 3 SER A 368
GLN A 369
PHE A 372
 SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.45A 3g4lC-3sl5A:
53.0		 3g4lC-3sl5A:
98.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G4L_D_ROFD904_0
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		12 / 12 TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
MET  A 273 (-0.0A)
ASP  A 318 (-0.5A)
LEU  A 319 ( 0.6A)
PRO  A 322 (-1.1A)
TRP  A 332 ( 0.5A)
THR  A 333 ( 0.8A)
ILE  A 336 ( 0.4A)
MET  A 337 ( 0.0A)
SER  A 368 (-0.0A)
GLN  A 369 (-0.6A)
 0.33A 3g4lD-3sl5A:
52.9		 3g4lD-3sl5A:
98.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8I_A_RO7A1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		5 / 12 VAL A 290
SER A 354
ILE A 187
VAL A 366
TYR A 368
 VAL  A 290 ( 0.6A)
SER  A 354 ( 0.0A)
ILE  A 187 ( 0.7A)
VAL  A 366 ( 0.6A)
TYR  A 368 ( 1.3A)
 0.99A 3g8iA-5gprA:
undetectable		 3g8iA-5gprA:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		6 / 11 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.24A 3gy3A-1zlrA:
12.6		 3gy3A-1zlrA:
39.67
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1vp6 CYCLIC-NUCLEOTIDE
BINDING DOMAIN OF
MESORHIZOBIUM LOTI
CNG POTASSIUM
CHANNEL
(Mesorhizobium
loti) 		4 / 7 GLU A 289
VAL A 282
VAL A 275
ALA A 294
 None
CMP  A 368 (-4.4A)
None
None
 0.91A 3kp6B-1vp6A:
undetectable		 3kp6B-1vp6A:
20.78
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.
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2
(Cupriavidus
pinatubonensis) 		3 / 3 PRO A 165
SER A 303
ASN A 167
 None
None
SO4  A 368 (-3.4A)
 0.73A 3lslG-3eucA:
0.5		 3lslG-3eucA:
22.54
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2uwf ALKALINE ACTIVE
ENDOXYLANASE
(Bacillus
halodurans) 		4 / 6 HIS A 366
HIS A 364
ARG A 357
ASP A 360
 CU  A1367 (-3.2A)
None
None
CA  A1368 (-3.0A)
 0.99A 3nvcA-2uwfA:
undetectable		 3nvcA-2uwfA:
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		4 / 5 GLY A 108
GLU A 142
GLY A 106
PRO A 138
 GDP  A1368 ( 3.8A)
GDP  A1368 (-2.7A)
GDP  A1368 (-3.6A)
GDP  A1368 (-4.2A)
 0.96A 3onnA-4b46A:
5.1		 3onnA-4b46A:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RHG_A_BEZA369_0
(PUTATIVE
PHOPHOTRIESTERASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		8 / 10 HIS A 199
HIS A 229
MET A 254
LEU A 257
PHE A 261
GLU A 264
ASP A 294
PHE A 296
 ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
BEZ  A 369 ( 3.9A)
None
BEZ  A 369 (-4.3A)
BEZ  A 369 ( 4.4A)
CAC  A 370 (-2.4A)
CAC  A 370 (-3.5A)
 0.58A 3rhgA-3rhgA:
70.6		 3rhgA-3rhgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RHG_A_BEZA369_0
(PUTATIVE
PHOPHOTRIESTERASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		9 / 10 TYR A  63
HIS A 199
TRP A 203
HIS A 229
MET A 254
LEU A 257
PHE A 261
ASP A 294
PHE A 296
 UNL  A 373 ( 3.6A)
ZN  A 368 (-3.1A)
None
ZN  A 368 (-3.2A)
BEZ  A 369 ( 3.9A)
None
BEZ  A 369 (-4.3A)
CAC  A 370 (-2.4A)
CAC  A 370 (-3.5A)
 0.01A 3rhgA-3rhgA:
70.6		 3rhgA-3rhgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		4 / 6 SER A 195
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.19A 3rxfA-1zlrA:
13.7		 3rxfA-1zlrA:
39.67
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 112
GLY A 106
ASP A  71
VAL A  68
GLY A 115
 GDP  A1368 (-3.5A)
GDP  A1368 (-3.6A)
None
None
None
 1.06A 3sglA-4b46A:
2.4		 3sglA-4b46A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		5 / 12 GLN A 256
GLN A 236
ASP A 183
SER A 118
MET A 119
 None
None
MG  A 368 ( 2.7A)
None
DAL  A 370 (-3.5A)
 1.27A 3t7sA-3tcsA:
undetectable		 3t7sA-3tcsA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		 3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 316
PHE A 287
ALA A 323
THR A   8
ALA A 326
 P33  A 368 ( 4.6A)
None
None
None
None
 0.91A 3ua1A-3ffrA:
undetectable		 3ua1A-3ffrA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 10 ALA A 363
GLY A 368
LEU A 432
LEU A 371
ILE A 295
 ALA  A 363 ( 0.0A)
GLY  A 368 ( 0.0A)
LEU  A 432 ( 0.5A)
LEU  A 371 ( 0.5A)
ILE  A 295 ( 0.6A)
 1.20A 3wdmB-3ulkA:
undetectable		 3wdmB-3ulkA:
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.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		3 / 3 TYR A  55
ARG A  48
SER A  49
 SO4  A 370 ( 4.2A)
GAL  A 368 ( 3.0A)
SO4  A 370 (-3.1A)
 1.11A 4dr2I-2rjoA:
1.3
4dr2J-2rjoA:
undetectable		 4dr2I-2rjoA:
18.35
4dr2J-2rjoA:
15.43
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.
4H9M_A_HAEA929_1
(UREASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 5 HIS A  23
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.78A 4h9mA-3rhgA:
13.9		 4h9mA-3rhgA:
18.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		5 / 12 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-2.8A)
368  A 901 (-3.7A)
None
368  A 901 (-3.5A)
 0.22A 4hfpD-1zlrA:
34.6		 4hfpD-1zlrA:
36.64
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
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
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 8 HIS A 229
ASP A 253
SER A 226
SER A 195
 ZN  A 368 (-3.2A)
None
None
None
 1.20A 4ndnA-3rhgA:
undetectable		 4ndnA-3rhgA:
21.80
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJU_A_TPVA500_2
(PROTEASE)		 2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE
(Paenarthrobacter
nicotinovorans) 		5 / 10 LEU A 203
ALA A 167
GLY A 212
ILE A 142
ILE A 206
 None
None
None
None
NA  A1368 (-4.3A)
 1.10A 4njuB-2jbwA:
undetectable		 4njuB-2jbwA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJU_C_TPVC500_2
(PROTEASE)		 2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE
(Paenarthrobacter
nicotinovorans) 		5 / 10 LEU A 203
ALA A 167
GLY A 212
ILE A 142
ILE A 206
 None
None
None
None
NA  A1368 (-4.3A)
 1.10A 4njuD-2jbwA:
undetectable		 4njuD-2jbwA:
13.87
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2cda GLUCOSE
DEHYDROGENASE
(Sulfolobus
solfataricus) 		5 / 12 GLU A  67
ASN A  89
ILE A  45
LEU A  50
GLY A  40
 ZN  A1368 (-3.1A)
None
None
None
None
 1.08A 4o1eA-2cdaA:
undetectable		 4o1eA-2cdaA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2cda GLUCOSE
DEHYDROGENASE
(Sulfolobus
solfataricus) 		5 / 12 GLU A  67
ASN A  89
ILE A  45
LEU A  50
GLY A  40
 ZN  A1368 (-3.1A)
None
None
None
None
 1.10A 4o1eB-2cdaA:
undetectable		 4o1eB-2cdaA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		3 / 3 ASN A 131
ASP A 105
ASP A 266
 GAL  A 368 (-3.7A)
GAL  A 368 (-2.9A)
GAL  A 368 (-2.9A)
 0.74A 4obwD-2rjoA:
undetectable		 4obwD-2rjoA:
20.18
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA303_1
(CHITOSANASE)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		4 / 6 ASP A 183
GLY A 234
VAL A 255
HIS A 207
 MG  A 368 ( 2.7A)
None
None
None
 1.07A 4oltA-3tcsA:
undetectable		 4oltA-3tcsA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB303_1
(CHITOSANASE)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		4 / 6 ASP A 183
GLY A 234
VAL A 255
HIS A 207
 MG  A 368 ( 2.7A)
None
None
None
 1.08A 4oltB-3tcsA:
undetectable		 4oltB-3tcsA:
24.17
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.
4P6V_E_RBFE201_1
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		4 / 5 HIS A 207
VAL A 231
GLU A 209
LYS A 145
 None
None
MG  A 368 ( 2.8A)
DAL  A 370 (-2.9A)
 1.34A 4p6vB-3tcsA:
undetectable
4p6vE-3tcsA:
undetectable		 4p6vB-3tcsA:
23.28
4p6vE-3tcsA:
19.16
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 LEU A  30
HIS A 229
HIS A  23
GLU A 166
 UNL  A 374 ( 3.6A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.98A 4pahA-3rhgA:
undetectable		 4pahA-3rhgA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 LEU A 297
HIS A 229
HIS A  23
GLU A 166
 None
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.96A 4pahA-3rhgA:
undetectable		 4pahA-3rhgA:
20.70
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 9 ALA A 238
THR A 263
ALA A 244
GLY A 157
ASP A 266
 None
None
None
None
GAL  A 368 (-2.9A)
 1.11A 4qwuK-2rjoA:
undetectable
4qwuL-2rjoA:
undetectable		 4qwuK-2rjoA:
20.37
4qwuL-2rjoA:
21.25
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 9 ALA A 238
THR A 263
ALA A 244
GLY A 157
ASP A 266
 None
None
None
None
GAL  A 368 (-2.9A)
 1.09A 4qwuY-2rjoA:
undetectable
4qwuZ-2rjoA:
undetectable		 4qwuY-2rjoA:
20.37
4qwuZ-2rjoA:
21.25
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		5 / 12 HIS A  23
GLU A 251
HIS A 229
GLU A 166
LEU A 135
 ZN  A 367 ( 3.2A)
None
ZN  A 368 (-3.2A)
ZN  A 368 (-2.5A)
None
 1.06A 4r7lA-3rhgA:
undetectable		 4r7lA-3rhgA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 1zlr COAGULATION FACTOR
XI
(Homo
sapiens) 		5 / 12 HIS A  57
ALA A 190
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-4.0A)
368  A 901 (-3.7A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.93A 4rn6B-1zlrA:
29.1		 4rn6B-1zlrA:
36.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2g5c PREPHENATE
DEHYDROGENASE
(Aquifex
aeolicus) 		5 / 12 GLY A  39
SER A  44
ILE A  63
ASN A  64
PRO A 100
 NAD  A3686 (-3.3A)
None
NAD  A3686 (-3.9A)
None
NAD  A3686 (-4.5A)
 1.15A 4rtpA-2g5cA:
5.6		 4rtpA-2g5cA:
20.39
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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2g5c PREPHENATE
DEHYDROGENASE
(Aquifex
aeolicus) 		5 / 12 GLY A  39
ASP A  62
ILE A  63
ASN A  64
PRO A 100
 NAD  A3686 (-3.3A)
NAD  A3686 (-2.8A)
NAD  A3686 (-3.9A)
None
NAD  A3686 (-4.5A)
 0.99A 4rtsA-2g5cA:
5.4		 4rtsA-2g5cA:
20.39
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		5 / 6 HIS A  23
HIS A  25
HIS A 199
HIS A 229
ASP A 294
 ZN  A 367 ( 3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-3.1A)
ZN  A 368 (-3.2A)
CAC  A 370 (-2.4A)
 0.65A 4ubpC-3rhgA:
14.9		 4ubpC-3rhgA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)		 3tcs RACEMASE, PUTATIVE
(Roseobacter
denitrificans) 		4 / 7 GLU A 209
PHE A 205
LYS A 145
HIS A 207
 MG  A 368 ( 2.8A)
None
DAL  A 370 (-2.9A)
None
 1.28A 4uciB-3tcsA:
undetectable		 4uciB-3tcsA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2we8 XANTHINE
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 319
LEU A 317
LEU A 327
LEU A 330
 None
None
None
ACT  A1368 (-4.5A)
 0.75A 4wg0B-2we8A:
undetectable
4wg0C-2we8A:
undetectable		 4wg0B-2we8A:
2.79
4wg0C-2we8A:
2.79
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.
4WG0_L_CHDL103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 2we8 XANTHINE
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A 327
LEU A 330
GLU A 319
LEU A 317
 None
ACT  A1368 (-4.5A)
None
None
 0.77A 4wg0L-2we8A:
undetectable
4wg0M-2we8A:
undetectable		 4wg0L-2we8A:
2.79
4wg0M-2we8A:
2.79
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 GLY A 135
GLY A 106
PRO A 138
LEU A 137
LEU A 164
 None
GDP  A1368 (-3.6A)
GDP  A1368 (-4.2A)
None
None
 1.13A 4x61A-4b46A:
undetectable		 4x61A-4b46A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 5 ILE A 127
ILE A 167
TYR A 126
GLU A 166
 None
None
UNL  A 372 (-4.3A)
ZN  A 368 (-2.5A)
 1.05A 4zzcE-3rhgA:
undetectable		 4zzcE-3rhgA:
22.65
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 8 HIS A 229
ASP A 253
SER A 226
SER A 195
 ZN  A 368 (-3.2A)
None
None
None
 1.17A 5a1iA-3rhgA:
undetectable		 5a1iA-3rhgA:
21.80
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 ALA A  11
GLY A 108
GLY A 106
GLY A 135
ALA A  70
 GDP  A1368 (-3.3A)
GDP  A1368 ( 3.8A)
GDP  A1368 (-3.6A)
None
None
 1.00A 5c0oG-4b46A:
3.0		 5c0oG-4b46A:
22.47
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 ASP A 368
ASN A 363
PHE A 357
 ASP  A 368 ( 0.5A)
ASN  A 363 ( 0.6A)
PHE  A 357 ( 1.3A)
 0.66A 5dsgB-5l5nA:
undetectable		 5dsgB-5l5nA:
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLI_A_ASCA202_0
(CYTOCHROME C')		 2hcm DUAL SPECIFICITY
PROTEIN PHOSPHATASE
(Mus
musculus) 		4 / 5 ALA A 104
GLY A  98
CYH A  95
LYS A  96
 None
None
None
ZN  A 368 (-4.0A)
 1.28A 5jliA-2hcmA:
undetectable		 5jliA-2hcmA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		3 / 3 THR A 147
PRO A 138
ASP A 168
 None
GDP  A1368 (-4.2A)
None
 0.59A 5l8dB-4b46A:
undetectable		 5l8dB-4b46A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		3 / 3 THR A 147
PRO A 138
ASP A 168
 None
GDP  A1368 (-4.2A)
None
 0.59A 5mwuB-4b46A:
undetectable		 5mwuB-4b46A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		 5a8j VWA2
(Sulfolobus
acidocaldarius) 		4 / 6 VAL A 206
VAL A 232
TYR A 209
ASN A  76
 None
None
GOL  A1368 (-3.0A)
None
 0.87A 5pbeA-5a8jA:
undetectable		 5pbeA-5a8jA:
16.95
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC
(Cytophaga
hutchinsonii) 		5 / 12 ILE A 316
PHE A 287
ALA A 323
THR A   8
ALA A 326
 P33  A 368 ( 4.6A)
None
None
None
None
 0.92A 5vcgA-3ffrA:
undetectable		 5vcgA-3ffrA:
23.09
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.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		4 / 8 GLY A  80
ILE A 180
ASP A 108
ASP A 105
 None
None
None
GAL  A 368 (-2.9A)
 1.03A 5vlmH-2rjoA:
undetectable		 5vlmH-2rjoA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE
(Shewanella
amazonensis) 		3 / 3 THR A 239
GLU A 241
HIS A  42
 None
SO4  A 368 ( 4.7A)
SO4  A 368 (-4.4A)
 0.91A 5xioA-3fmcA:
undetectable		 5xioA-3fmcA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Streptomyces
coelicolor) 		4 / 8 LEU A 358
ILE A 236
PHE A 233
ALA A 263
 RMN  A1369 ( 4.1A)
RMN  A1369 ( 4.8A)
None
CO  A1368 ( 4.4A)
 0.85A 5y7pC-3zgjA:
undetectable		 5y7pC-3zgjA:
20.05
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.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 5 HIS A 303
SER A 337
TYR A 300
GLY A 301
 BGC  A1366 ( 3.7A)
BGC  A1368 (-3.5A)
None
None
 0.83A 5yodH-5a8qA:
undetectable		 5yodH-5a8qA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3iau THREONINE DEAMINASE
(Solanum
lycopersicum) 		5 / 9 GLY A 240
TYR A 328
VAL A 241
ASP A 289
GLY A 290
 None
15P  A 368 (-4.7A)
None
None
None
 1.34A 5zniA-3iauA:
undetectable		 5zniA-3iauA:
11.63
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.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		 2g5c PREPHENATE
DEHYDROGENASE
(Aquifex
aeolicus) 		4 / 5 TYR A  61
VAL A  87
LEU A  34
SER A  99
 NAD  A3686 (-4.2A)
None
None
NAD  A3686 (-4.6A)
 1.24A 6a7pA-2g5cA:
undetectable		 6a7pA-2g5cA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2we8 XANTHINE
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ILE A 350
SER A 306
SER A 332
SER A 331
GLY A 302
 None
None
ACT  A1368 (-4.4A)
None
None
 1.16A 6awpA-2we8A:
undetectable		 6awpA-2we8A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 12 GLY A 292
GLY A  61
ASP A 105
ILE A 129
LEU A 291
 None
None
GAL  A 368 (-2.9A)
None
None
 1.13A 6b3aA-2rjoA:
2.2		 6b3aA-2rjoA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN
(Paraburkholderia
phytofirmans) 		5 / 12 GLY A 292
GLY A  61
ASP A 105
ILE A 129
LEU A 291
 None
None
GAL  A 368 (-2.9A)
None
None
 1.09A 6b3bA-2rjoA:
2.6		 6b3bA-2rjoA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 5 THR A  96
HIS A  23
ASP A 294
HIS A 229
 None
ZN  A 367 ( 3.2A)
CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
 1.00A 6dchA-3rhgA:
undetectable		 6dchA-3rhgA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		4 / 5 TYR A 183
GLN A 180
GLY A 112
ILE A 136
 GDP  A1368 (-3.5A)
None
GDP  A1368 (-3.5A)
GDP  A1368 ( 4.2A)
 1.22A 6debB-4b46A:
2.1		 6debB-4b46A:
12.94
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0B-4mtpA:
undetectable		 6ew0B-4mtpA:
7.95
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0D-4mtpA:
undetectable		 6ew0D-4mtpA:
7.95
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0H-4mtpA:
undetectable		 6ew0H-4mtpA:
7.95
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0I-4mtpA:
undetectable		 6ew0I-4mtpA:
7.95
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 8 HIS A 229
ASP A 253
SER A 226
SER A 195
 ZN  A 368 (-3.2A)
None
None
None
 1.13A 6fbnB-3rhgA:
undetectable		 6fbnB-3rhgA:
21.80
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 8 HIS A 229
ASP A 253
SER A 226
SER A 195
 ZN  A 368 (-3.2A)
None
None
None
 1.16A 6fboA-3rhgA:
undetectable		 6fboA-3rhgA:
14.00
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 8 HIS A 229
ASP A 253
SER A 226
SER A 195
 ZN  A 368 (-3.2A)
None
None
None
 1.22A 6fcbA-3rhgA:
undetectable		 6fcbA-3rhgA:
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.
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 12 PHE A 167
GLY A 135
ASN A 169
ILE A 186
VAL A 228
 None
None
GDP  A1368 (-3.3A)
GDP  A1368 (-4.2A)
None
 1.10A 6mhtA-4b46A:
3.2		 6mhtA-4b46A:
21.45
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.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4b46 CELL DIVISION
PROTEIN FTSZ
(Haloferax
volcanii) 		5 / 10 THR A 111
GLY A  65
GLY A  59
VAL A  68
ASN A  38
 GDP  A1368 (-4.3A)
None
None
None
GDP  A1368 ( 4.2A)
 1.42A 6nqaK-4b46A:
undetectable		 6nqaK-4b46A:
21.78
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.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 LEU A  30
HIS A 229
HIS A  23
GLU A 166
 UNL  A 374 ( 3.6A)
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.97A 6pahA-3rhgA:
undetectable		 6pahA-3rhgA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 3rhg PUTATIVE
PHOPHOTRIESTERASE
(Proteus
mirabilis) 		4 / 6 LEU A 297
HIS A 229
HIS A  23
GLU A 166
 None
ZN  A 368 (-3.2A)
ZN  A 367 ( 3.2A)
ZN  A 368 (-2.5A)
 0.99A 6pahA-3rhgA:
undetectable		 6pahA-3rhgA:
20.70