SIMILAR PATTERNS OF AMINO ACIDS FOR 5E26_C_PAUC602

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		4 GLY A  16
GLY A  12
TYR A 232
ALA A  20
 NAD  A 300 (-3.4A)
NAD  A 300 (-3.3A)
None
None
 0.89A 5e26C-1bdbA:
0.0
5e26D-1bdbA:
0.0		 5e26C-1bdbA:
23.36
5e26D-1bdbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		4 GLY A  16
GLY A  13
TYR A 232
ALA A  20
 NAD  A 300 (-3.4A)
None
None
None
 0.87A 5e26C-1bdbA:
0.0
5e26D-1bdbA:
0.0		 5e26C-1bdbA:
23.36
5e26D-1bdbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLU A 155
GLY A 313
GLY A 344
ALA A 340
 FAD  A 600 (-2.7A)
FAD  A 600 (-3.5A)
FAD  A 600 ( 4.6A)
None
 0.88A 5e26C-1d4eA:
0.0
5e26D-1d4eA:
0.0		 5e26C-1d4eA:
20.41
5e26D-1d4eA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgs DNA LIGASE

(Thermus
filiformis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 GLY A 119
SER A 121
GLY A 135
ALA A 199
 None
 0.81A 5e26C-1dgsA:
0.0
5e26D-1dgsA:
0.0		 5e26C-1dgsA:
22.58
5e26D-1dgsA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1em9 GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 GLU A 128
GLY A 108
GLY A 119
ALA A 110
 None
 0.90A 5e26C-1em9A:
undetectable
5e26D-1em9A:
undetectable		 5e26C-1em9A:
17.32
5e26D-1em9A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		4 GLY A 133
ARG A  49
GLY A 168
ALA A 165
 None
 0.81A 5e26C-1ftaA:
0.0
5e26D-1ftaA:
0.0		 5e26C-1ftaA:
23.88
5e26D-1ftaA:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hh2 N UTILIZATION
SUBSTANCE PROTEIN A

(Thermotoga
maritima) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		4 GLU P 228
GLY P 322
ARG P 232
ALA P 325
 None
 0.89A 5e26C-1hh2P:
undetectable
5e26D-1hh2P:
undetectable		 5e26C-1hh2P:
22.14
5e26D-1hh2P:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLY A 269
SER A 271
GLY A 229
TYR A 131
 None
 0.83A 5e26C-1kbvA:
undetectable
5e26D-1kbvA:
0.0		 5e26C-1kbvA:
23.96
5e26D-1kbvA:
23.96
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 GLY A 417
GLY A 505
TYR A 425
ALA A 483
 None
None
NAG  A 616 (-4.8A)
None
 0.84A 5e26C-1lq2A:
0.0
5e26D-1lq2A:
0.9		 5e26C-1lq2A:
21.44
5e26D-1lq2A:
21.44
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLU A 156
GLY A 314
GLY A 345
ALA A 341
 FAD  A3000 (-2.7A)
FAD  A3000 (-3.3A)
FAD  A3000 ( 4.6A)
None
 0.85A 5e26C-1m64A:
0.0
5e26D-1m64A:
undetectable		 5e26C-1m64A:
21.66
5e26D-1m64A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 GLU A 317
GLY A 487
GLY A 180
TYR A 144
ALA A 162
 None
 1.01A 5e26C-1mb9A:
undetectable
5e26D-1mb9A:
1.2		 5e26C-1mb9A:
22.99
5e26D-1mb9A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLU A 109
GLY A 259
SER A 138
ALA A 257
 None
 0.88A 5e26C-1np7A:
undetectable
5e26D-1np7A:
undetectable		 5e26C-1np7A:
22.03
5e26D-1np7A:
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		4 GLU A 147
GLY A  85
SER A 111
GLY A 109
 None
None
MCA  A4001 (-3.7A)
MCA  A4001 (-3.0A)
 0.81A 5e26C-1on9A:
undetectable
5e26D-1on9A:
undetectable		 5e26C-1on9A:
22.46
5e26D-1on9A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 223
GLY A 162
GLY A 156
ALA A 163
 None
 0.85A 5e26C-1p43A:
undetectable
5e26D-1p43A:
undetectable		 5e26C-1p43A:
22.76
5e26D-1p43A:
22.76
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.
1p9o PHOSPHOPANTOTHENOYLC
YSTEINE SYNTHETASE

(Homo sapiens) 		PF04127
(DFP) 		4 GLY A  44
SER A  88
GLY A  63
ALA A 179
 None
 0.88A 5e26C-1p9oA:
undetectable
5e26D-1p9oA:
undetectable		 5e26C-1p9oA:
22.67
5e26D-1p9oA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 GLU H  32
GLY H  16
GLY H  44
ALA H 194
 None
 0.87A 5e26C-1q5qH:
undetectable
5e26D-1q5qH:
undetectable		 5e26C-1q5qH:
20.53
5e26D-1q5qH:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 GLU A 431
GLY A 572
GLY A 584
ALA A 515
 ACR  A3000 (-3.5A)
None
None
None
 0.83A 5e26C-1ulvA:
undetectable
5e26D-1ulvA:
undetectable		 5e26C-1ulvA:
16.72
5e26D-1ulvA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 GLY A 879
ARG A1073
GLY A 934
ALA A 937
 None
 0.85A 5e26C-1vprA:
undetectable
5e26D-1vprA:
undetectable		 5e26C-1vprA:
22.38
5e26D-1vprA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 GLU A 324
GLY A 162
GLY A 164
ALA A 210
 GDP  A1002 (-2.6A)
GDP  A1002 ( 3.8A)
None
GDP  A1002 (-3.4A)
 0.84A 5e26C-1xjeA:
2.1
5e26D-1xjeA:
1.3		 5e26C-1xjeA:
21.27
5e26D-1xjeA:
21.27
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		4 GLY A 430
SER A 426
GLY A 425
ALA A 402
 None
 0.82A 5e26C-1xnyA:
undetectable
5e26D-1xnyA:
undetectable		 5e26C-1xnyA:
22.57
5e26D-1xnyA:
22.57
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.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 GLY A 145
ARG A 239
GLY A 140
ALA A 143
 UNX  A 277 ( 4.7A)
None
None
None
 0.85A 5e26C-2a4kA:
undetectable
5e26D-2a4kA:
undetectable		 5e26C-2a4kA:
21.39
5e26D-2a4kA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djr ZINC FINGER BED
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02892
(zf-BED) 		4 GLU A   9
GLY A  69
SER A  71
GLY A  72
 None
 0.89A 5e26C-2djrA:
undetectable
5e26D-2djrA:
undetectable		 5e26C-2djrA:
10.63
5e26D-2djrA:
10.63
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.
2e3v NEURAL CELL ADHESION
MOLECULE 1, 140 KDA
ISOFORM

(Homo sapiens) 		PF00041
(fn3) 		4 GLU A  31
GLY A   9
GLY A  91
TYR A  43
 None
 0.84A 5e26C-2e3vA:
undetectable
5e26D-2e3vA:
undetectable		 5e26C-2e3vA:
13.41
5e26D-2e3vA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		4 GLU A 493
GLY A 512
GLY A 536
ALA A 540
 None
 0.78A 5e26C-2gq3A:
undetectable
5e26D-2gq3A:
undetectable		 5e26C-2gq3A:
19.75
5e26D-2gq3A:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i7n PANTOTHENATE KINASE
1

(Homo sapiens) 		PF03630
(Fumble) 		4 GLY A 418
SER A 420
ARG A 432
GLY A 435
 ACO  A 796 (-3.2A)
ACO  A 796 (-2.8A)
ACO  A 796 (-3.2A)
ACO  A 796 ( 4.2A)
 0.24A 5e26C-2i7nA:
41.0
5e26D-2i7nA:
41.4		 5e26C-2i7nA:
83.06
5e26D-2i7nA:
83.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		4 GLY A 193
SER A 195
ARG A 207
GLY A 210
 ACO  A1604 (-3.2A)
ACO  A1604 (-2.6A)
ACO  A1604 (-3.2A)
ACO  A1604 ( 3.9A)
 0.20A 5e26C-2i7pA:
38.0
5e26D-2i7pA:
38.1		 5e26C-2i7pA:
82.19
5e26D-2i7pA:
82.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jmm OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		4 GLU A 129
GLY A  43
GLY A  10
TYR A  76
 None
 0.82A 5e26C-2jmmA:
undetectable
5e26D-2jmmA:
undetectable		 5e26C-2jmmA:
18.33
5e26D-2jmmA:
18.33
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 GLY A  89
SER A  91
GLY A 200
ALA A  47
 None
 0.85A 5e26C-2vg9A:
undetectable
5e26D-2vg9A:
undetectable		 5e26C-2vg9A:
19.41
5e26D-2vg9A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 404
GLY A 402
TYR A 470
ALA A 422
 None
None
FAD  A 601 (-4.9A)
None
 0.85A 5e26C-2wdwA:
undetectable
5e26D-2wdwA:
undetectable		 5e26C-2wdwA:
20.85
5e26D-2wdwA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		4 GLY A  16
GLY A  12
TYR A 232
ALA A  20
 None
 0.87A 5e26C-2y93A:
undetectable
5e26D-2y93A:
undetectable		 5e26C-2y93A:
22.55
5e26D-2y93A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLU A 185
GLY A 182
ARG A 187
GLY A 176
ALA A 180
 None
None
SO4  A1423 (-2.1A)
None
None
 1.35A 5e26C-2yfqA:
2.5
5e26D-2yfqA:
undetectable		 5e26C-2yfqA:
22.03
5e26D-2yfqA:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 GLY A 429
SER A 431
GLY A 443
ALA A 426
 None
 0.87A 5e26C-2zuxA:
undetectable
5e26D-2zuxA:
undetectable		 5e26C-2zuxA:
20.57
5e26D-2zuxA:
20.57
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 GLY A 155
SER A 151
GLY A 149
ALA A 179
 None
 0.68A 5e26C-3a2qA:
undetectable
5e26D-3a2qA:
undetectable		 5e26C-3a2qA:
21.21
5e26D-3a2qA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		4 GLU A 159
GLY A 189
SER A 191
GLY A 228
 None
ANP  A   1 (-3.4A)
None
None
 0.86A 5e26C-3aarA:
5.5
5e26D-3aarA:
5.5		 5e26C-3aarA:
21.48
5e26D-3aarA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		4 GLY A 249
SER A 251
GLY A 289
ALA A 277
 None
 0.77A 5e26C-3afgA:
undetectable
5e26D-3afgA:
undetectable		 5e26C-3afgA:
21.60
5e26D-3afgA:
21.60
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 257
SER A 261
ARG A 192
GLY A 194
ALA A 256
 None
 1.35A 5e26C-3ak5A:
undetectable
5e26D-3ak5A:
undetectable		 5e26C-3ak5A:
18.62
5e26D-3ak5A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 GLY B 458
GLY B 502
TYR B 393
ALA B 460
 None
 0.89A 5e26C-3b9jB:
undetectable
5e26D-3b9jB:
undetectable		 5e26C-3b9jB:
23.13
5e26D-3b9jB:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 GLU A 501
GLY A 574
GLY A 579
ALA A 582
 None
 0.88A 5e26C-3cf4A:
undetectable
5e26D-3cf4A:
undetectable		 5e26C-3cf4A:
19.46
5e26D-3cf4A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A 320
GLY A  43
GLY A  55
ALA A  82
 None
 0.78A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A1320
GLY A1043
GLY A1055
ALA A1082
 None
 0.80A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A2320
GLY A2043
GLY A2055
ALA A2082
 None
 0.80A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A3320
GLY A3043
GLY A3055
ALA A3082
 None
 0.82A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A4320
GLY A4043
GLY A4055
ALA A4082
 None
 0.80A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A5320
GLY A5043
GLY A5055
ALA A5082
 None
 0.89A 5e26C-3cmuA:
undetectable
5e26D-3cmuA:
undetectable		 5e26C-3cmuA:
11.25
5e26D-3cmuA:
11.25
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLU A 199
GLY A 329
GLY A 332
ALA A 327
 None
 0.87A 5e26C-3fefA:
1.5
5e26D-3fefA:
1.6		 5e26C-3fefA:
20.68
5e26D-3fefA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 GLY A  44
SER A  67
GLY A  66
ALA A 119
 SAH  A 308 (-3.6A)
None
None
None
 0.87A 5e26C-3g5tA:
undetectable
5e26D-3g5tA:
undetectable		 5e26C-3g5tA:
22.76
5e26D-3g5tA:
22.76
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 GLU A 425
GLY A 227
ARG A 236
GLY A 292
TYR A 235
 None
 1.41A 5e26C-3hlkA:
undetectable
5e26D-3hlkA:
undetectable		 5e26C-3hlkA:
21.48
5e26D-3hlkA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 GLU A 261
GLY A 253
GLY A 248
ALA A 251
 None
 0.74A 5e26C-3hsiA:
undetectable
5e26D-3hsiA:
undetectable		 5e26C-3hsiA:
23.19
5e26D-3hsiA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 GLU A 185
GLY A 144
GLY A 162
ALA A 137
 None
 0.70A 5e26C-3htvA:
6.3
5e26D-3htvA:
3.8		 5e26C-3htvA:
23.04
5e26D-3htvA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 GLY A  58
GLY A 120
TYR A  51
ALA A  56
 None
 0.87A 5e26C-3ibxA:
undetectable
5e26D-3ibxA:
undetectable		 5e26C-3ibxA:
21.02
5e26D-3ibxA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifc FRUCTOSE-1,6-BISPHOS
PHATASE ISOZYME 2

(Homo sapiens) 		PF00316
(FBPase) 		4 GLY A 133
ARG A  49
GLY A 168
ALA A 165
 None
 0.74A 5e26C-3ifcA:
undetectable
5e26D-3ifcA:
undetectable		 5e26C-3ifcA:
23.00
5e26D-3ifcA:
23.00
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 GLY W 123
SER W  69
GLY W 174
ALA W 120
 None
 0.89A 5e26C-3iylW:
undetectable
5e26D-3iylW:
undetectable		 5e26C-3iylW:
14.47
5e26D-3iylW:
14.47
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.
3m7n PUTATIVE
UNCHARACTERIZED
PROTEIN AF_0206

(Archaeoglobus
fulgidus) 		PF10447
(EXOSC1)
PF14382
(ECR1_N) 		4 GLY A  21
SER A  48
GLY A  35
ALA A  32
 None
 0.76A 5e26C-3m7nA:
undetectable
5e26D-3m7nA:
undetectable		 5e26C-3m7nA:
18.82
5e26D-3m7nA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 GLY A 295
SER A 344
GLY A 345
ALA A 297
 PLP  A1001 (-3.4A)
None
PLP  A1001 (-3.3A)
None
 0.79A 5e26C-3n2oA:
3.3
5e26D-3n2oA:
2.3		 5e26C-3n2oA:
21.05
5e26D-3n2oA:
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.
3ns1 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 GLY B 458
GLY B 502
TYR B 393
ALA B 460
 None
 0.84A 5e26C-3ns1B:
undetectable
5e26D-3ns1B:
undetectable		 5e26C-3ns1B:
23.44
5e26D-3ns1B:
23.44
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		4 GLY A 274
SER A 321
GLY A 322
ALA A 276
 PLP  A 701 (-4.1A)
None
PLP  A 701 (-3.3A)
None
 0.89A 5e26C-3nzpA:
3.7
5e26D-3nzpA:
2.6		 5e26C-3nzpA:
20.98
5e26D-3nzpA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p94 GDSL-LIKE LIPASE

(Parabacteroides
distasonis) 		PF13472
(Lipase_GDSL_2) 		4 GLU A  84
ARG A  88
GLY A  76
ALA A 105
 None
 0.85A 5e26C-3p94A:
undetectable
5e26D-3p94A:
undetectable		 5e26C-3p94A:
19.51
5e26D-3p94A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		4 GLU A  83
GLY A  37
GLY A 127
ALA A  40
 None
 0.86A 5e26C-3r7tA:
undetectable
5e26D-3r7tA:
undetectable		 5e26C-3r7tA:
21.63
5e26D-3r7tA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 414
GLY A 129
TYR A 133
ALA A 125
 None
 0.81A 5e26C-3uj2A:
undetectable
5e26D-3uj2A:
undetectable		 5e26C-3uj2A:
22.54
5e26D-3uj2A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLY A 181
SER A 191
GLY A 190
ALA A 167
 None
 0.82A 5e26C-3v4pA:
undetectable
5e26D-3v4pA:
undetectable		 5e26C-3v4pA:
20.33
5e26D-3v4pA:
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		4 GLU A  92
GLY A 237
GLY A  54
ALA A 233
 None
 0.84A 5e26C-3vscA:
2.5
5e26D-3vscA:
2.3		 5e26C-3vscA:
22.10
5e26D-3vscA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		4 GLY A 185
GLY A 212
TYR A  90
ALA A 189
 None
 0.87A 5e26C-3zpxA:
undetectable
5e26D-3zpxA:
undetectable		 5e26C-3zpxA:
21.61
5e26D-3zpxA:
21.61
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		4 GLU A 563
GLY A 529
SER A 736
ALA A 506
 None
 0.88A 5e26C-4am6A:
undetectable
5e26D-4am6A:
4.0		 5e26C-4am6A:
19.60
5e26D-4am6A:
19.60
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 GLY A  41
SER A  43
GLY A  73
TYR A  35
ALA A  39
 None
 1.29A 5e26C-4ao7A:
undetectable
5e26D-4ao7A:
undetectable		 5e26C-4ao7A:
21.18
5e26D-4ao7A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 GLU A 135
GLY A 208
GLY A 247
ALA A 206
 TRS  A 401 (-2.9A)
None
None
None
 0.86A 5e26C-4ee9A:
undetectable
5e26D-4ee9A:
undetectable		 5e26C-4ee9A:
22.96
5e26D-4ee9A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		4 GLU A 498
GLY A 517
GLY A 541
ALA A 545
 None
 0.82A 5e26C-4ex4A:
undetectable
5e26D-4ex4A:
undetectable		 5e26C-4ex4A:
17.70
5e26D-4ex4A:
17.70
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		4 GLY A 354
ARG A 326
GLY A 332
ALA A 356
 None
None
None
MG  A 501 (-4.5A)
 0.87A 5e26C-4f0qA:
undetectable
5e26D-4f0qA:
undetectable		 5e26C-4f0qA:
23.62
5e26D-4f0qA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		4 GLU A1060
SER A 973
GLY A 972
ALA A1089
 None
 0.87A 5e26C-4f1nA:
undetectable
5e26D-4f1nA:
2.3		 5e26C-4f1nA:
16.06
5e26D-4f1nA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		4 GLY B 189
ARG B 144
GLY B 194
ALA B 191
 None
 0.71A 5e26C-4i0wB:
undetectable
5e26D-4i0wB:
undetectable		 5e26C-4i0wB:
23.89
5e26D-4i0wB:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7q PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
PDR16

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 GLU A  78
GLY A 128
SER A 121
GLY A 119
 None
 0.68A 5e26C-4j7qA:
undetectable
5e26D-4j7qA:
undetectable		 5e26C-4j7qA:
22.14
5e26D-4j7qA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 GLY A 160
SER A 221
GLY A 220
ALA A  79
 None
 0.81A 5e26C-4ktpA:
undetectable
5e26D-4ktpA:
undetectable		 5e26C-4ktpA:
18.25
5e26D-4ktpA:
18.25
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		5 GLU A 199
GLY A 114
GLY A  20
TYR A 201
ALA A  16
 None
 1.24A 5e26C-4mjkA:
undetectable
5e26D-4mjkA:
undetectable		 5e26C-4mjkA:
21.95
5e26D-4mjkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		4 GLY A 208
SER A 206
GLY A 226
ALA A 223
 None
 0.88A 5e26C-4mnrA:
undetectable
5e26D-4mnrA:
undetectable		 5e26C-4mnrA:
22.49
5e26D-4mnrA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		4 GLY A  16
GLY A  12
TYR A 222
ALA A  20
 None
 0.78A 5e26C-4nbvA:
2.2
5e26D-4nbvA:
undetectable		 5e26C-4nbvA:
21.04
5e26D-4nbvA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		4 GLY A  23
GLY A  19
TYR A 238
ALA A  27
 NAD  A 301 (-3.5A)
NAD  A 301 (-3.2A)
None
None
 0.78A 5e26C-4nbwA:
undetectable
5e26D-4nbwA:
undetectable		 5e26C-4nbwA:
21.49
5e26D-4nbwA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		4 GLY A 271
SER A 276
GLY A 150
ALA A 269
 None
 0.89A 5e26C-4nx1A:
undetectable
5e26D-4nx1A:
undetectable		 5e26C-4nx1A:
22.39
5e26D-4nx1A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 GLU A 404
GLY A 246
GLY A 251
TYR A 430
ALA A 268
 NAD  A 601 (-2.8A)
NAD  A 601 (-3.0A)
None
None
NAD  A 601 (-3.2A)
 1.25A 5e26C-4ou2A:
undetectable
5e26D-4ou2A:
undetectable		 5e26C-4ou2A:
22.02
5e26D-4ou2A:
22.02
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		4 GLY A 348
GLY A 483
TYR A 435
ALA A 351
 None
 0.87A 5e26C-4qjyA:
undetectable
5e26D-4qjyA:
undetectable		 5e26C-4qjyA:
21.00
5e26D-4qjyA:
21.00
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.
4rus FISH-EGG LECTIN

(Cyprinus carpio) 		PF06462
(Hyd_WA) 		5 GLU A 170
SER A  48
GLY A  56
TYR A 125
ALA A  90
 CA  A 303 (-3.0A)
CA  A 303 ( 4.1A)
None
None
None
 1.19A 5e26C-4rusA:
undetectable
5e26D-4rusA:
undetectable		 5e26C-4rusA:
20.82
5e26D-4rusA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		4 GLU A 165
GLY A  32
ARG A 194
GLY A  35
 None
 0.67A 5e26C-4rz2A:
3.7
5e26D-4rz2A:
3.8		 5e26C-4rz2A:
21.43
5e26D-4rz2A:
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 GLY A 330
SER A 328
GLY A 324
TYR A 335
ALA A 338
 None
 1.12A 5e26C-4upkA:
undetectable
5e26D-4upkA:
undetectable		 5e26C-4upkA:
20.58
5e26D-4upkA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLU A  21
GLY A  32
GLY A  96
ALA A  28
 None
 0.88A 5e26C-4wjbA:
undetectable
5e26D-4wjbA:
undetectable		 5e26C-4wjbA:
21.76
5e26D-4wjbA:
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLY A 457
GLY A 501
TYR A 392
ALA A 459
 NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
 0.67A 5e26C-4yswA:
undetectable
5e26D-4yswA:
undetectable		 5e26C-4yswA:
14.13
5e26D-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 411
GLY A 128
TYR A 132
ALA A 124
 None
 0.82A 5e26C-4z17A:
undetectable
5e26D-4z17A:
undetectable		 5e26C-4z17A:
21.06
5e26D-4z17A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zy7 UNCHARACTERIZED
PROTEIN MSMEG_5817

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A  53
SER A  55
ARG A 113
GLY A  71
ALA A  51
 None
 1.08A 5e26C-4zy7A:
undetectable
5e26D-4zy7A:
undetectable		 5e26C-4zy7A:
16.48
5e26D-4zy7A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLU A 416
GLY A 129
TYR A 133
ALA A 125
 GOL  A 503 (-3.0A)
None
GOL  A 503 (-4.9A)
None
 0.82A 5e26C-5boeA:
undetectable
5e26D-5boeA:
undetectable		 5e26C-5boeA:
23.09
5e26D-5boeA:
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.
5bz3 NA(+)/H(+)
ANTIPORTER

(Thermus
thermophilus) 		PF00999
(Na_H_Exchanger) 		4 GLU A  57
GLY A 277
GLY A  43
ALA A 274
 7E8  A 401 ( 4.1A)
None
None
None
 0.83A 5e26C-5bz3A:
undetectable
5e26D-5bz3A:
undetectable		 5e26C-5bz3A:
22.84
5e26D-5bz3A:
22.84
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT
HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis;
Candidatus
Kuenenia
stuttgartiensis) 		no annotation
PF02239
(Cytochrom_D1) 		4 GLU A 306
GLY A 593
GLY B 340
TYR A 300
 None
 0.81A 5e26C-5c2vA:
undetectable
5e26D-5c2vA:
undetectable		 5e26C-5c2vA:
19.27
5e26D-5c2vA:
19.27
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		4 GLY B  67
SER B 102
GLY B 101
TYR A 123
 None
CA  A 507 ( 2.0A)
None
HEM  A 502 ( 4.7A)
 0.89A 5e26C-5djqB:
undetectable
5e26D-5djqB:
undetectable		 5e26C-5djqB:
20.47
5e26D-5djqB:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 GLU A 338
GLY A 393
SER A 395
ARG A 407
GLY A 410
 PAU  A 602 (-2.7A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.1A)
PAU  A 602 (-3.3A)
PAU  A 602 (-3.3A)
 0.11A 5e26C-5e26A:
56.3
5e26D-5e26A:
56.0		 5e26C-5e26A:
100.00
5e26D-5e26A:
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 GLU A 508
GLY A 454
GLY A 515
ALA A 451
 ZN  A 801 (-2.2A)
None
None
None
 0.84A 5e26C-5e3cA:
undetectable
5e26D-5e3cA:
undetectable		 5e26C-5e3cA:
21.25
5e26D-5e3cA:
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 GLU C  39
GLY C 230
GLY C 244
ALA C  67
 None
 0.87A 5e26C-5elpC:
undetectable
5e26D-5elpC:
undetectable		 5e26C-5elpC:
20.95
5e26D-5elpC:
20.95
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.
5elz TYPE II PANTOTHENATE
KINASE

(Staphylococcus
aureus) 		PF03630
(Fumble) 		5 GLU A  70
GLY A 100
SER A 102
ARG A 113
GLY A 116
 3V9  A 303 (-3.2A)
3V9  A 303 (-3.3A)
3V9  A 303 (-3.8A)
3V9  A 303 (-3.3A)
3V9  A 303 (-3.2A)
 0.44A 5e26C-5elzA:
29.8
5e26D-5elzA:
29.8		 5e26C-5elzA:
26.26
5e26D-5elzA:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 GLY A 417
SER A 273
GLY A 274
ALA A 268
 None
None
GDP  A 701 (-3.2A)
None
 0.87A 5e26C-5i67A:
undetectable
5e26D-5i67A:
undetectable		 5e26C-5i67A:
22.24
5e26D-5i67A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 GLY A 431
SER A 427
GLY A 426
ALA A 403
 None
 0.82A 5e26C-5infA:
undetectable
5e26D-5infA:
undetectable		 5e26C-5infA:
21.64
5e26D-5infA:
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		4 GLY A 209
SER A 213
ARG A 145
GLY A 147
 None
 0.89A 5e26C-5j44A:
undetectable
5e26D-5j44A:
undetectable		 5e26C-5j44A:
15.88
5e26D-5j44A:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jb3 30S RIBOSOMAL
PROTEIN S9

(Pyrococcus
abyssi) 		PF00380
(Ribosomal_S9) 		4 GLY K   8
ARG K 113
GLY K 109
ALA K  77
 None
G  21069 ( 3.7A)
None
None
 0.89A 5e26C-5jb3K:
undetectable
5e26D-5jb3K:
undetectable		 5e26C-5jb3K:
18.44
5e26D-5jb3K:
18.44
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.
5jcn OS09G0567300 PROTEIN

(Oryza sativa) 		PF07992
(Pyr_redox_2) 		4 GLY A  13
GLY A 124
TYR A  46
ALA A  18
 FAD  A 500 (-3.0A)
FAD  A 500 (-3.2A)
None
None
 0.86A 5e26C-5jcnA:
undetectable
5e26D-5jcnA:
undetectable		 5e26C-5jcnA:
23.24
5e26D-5jcnA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 GLY A 105
SER A 206
GLY A 209
TYR A  88
ALA A 203
 None
 1.27A 5e26C-5jxkA:
undetectable
5e26D-5jxkA:
undetectable		 5e26C-5jxkA:
19.57
5e26D-5jxkA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 4 GLU A 162
GLY A 150
GLY A  27
ALA A  30
 None
 0.83A 5e26C-5kjoA:
undetectable
5e26D-5kjoA:
undetectable		 5e26C-5kjoA:
16.94
5e26D-5kjoA:
16.94