SIMILAR PATTERNS OF AMINO ACIDS FOR 5E26_B_PAUB601_0

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 TYR A 232
ALA A  20
GLY A  16
GLY A  13
 None
None
NAD  A 300 (-3.4A)
None
 0.84A 5e26A-1bdbA:
0.0
5e26B-1bdbA:
0.0		 5e26A-1bdbA:
23.36
5e26B-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 ALA A 340
GLU A 155
GLY A 313
GLY A 344
 None
FAD  A 600 (-2.7A)
FAD  A 600 (-3.5A)
FAD  A 600 ( 4.6A)
 0.85A 5e26A-1d4eA:
undetectable
5e26B-1d4eA:
0.0		 5e26A-1d4eA:
20.41
5e26B-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.
1em9 GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 ALA A 110
GLU A 128
GLY A 108
GLY A 119
 None
 0.87A 5e26A-1em9A:
undetectable
5e26B-1em9A:
undetectable		 5e26A-1em9A:
17.32
5e26B-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 ALA A 165
GLY A 133
ARG A  49
GLY A 168
 None
 0.80A 5e26A-1ftaA:
0.0
5e26B-1ftaA:
undetectable		 5e26A-1ftaA:
23.88
5e26B-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.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 TYR A 131
GLY A 269
SER A 271
GLY A 229
 None
 0.82A 5e26A-1kbvA:
0.0
5e26B-1kbvA:
undetectable		 5e26A-1kbvA:
23.96
5e26B-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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 141
GLY A 143
ARG A 315
GLY A 308
 FAD  A 459 (-4.5A)
FAD  A 459 (-3.3A)
None
None
 0.88A 5e26A-1lvlA:
0.0
5e26B-1lvlA:
0.0		 5e26A-1lvlA:
22.12
5e26B-1lvlA:
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ALA A 341
GLU A 156
GLY A 314
GLY A 345
 None
FAD  A3000 (-2.7A)
FAD  A3000 (-3.3A)
FAD  A3000 ( 4.6A)
 0.82A 5e26A-1m64A:
undetectable
5e26B-1m64A:
undetectable		 5e26A-1m64A:
21.66
5e26B-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 TYR A 144
ALA A 162
GLU A 317
GLY A 487
GLY A 180
 None
 0.94A 5e26A-1mb9A:
0.0
5e26B-1mb9A:
0.0		 5e26A-1mb9A:
22.99
5e26B-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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLY A 321
SER A 197
ARG A 224
GLY A 196
 None
 0.88A 5e26A-1mzjA:
0.0
5e26B-1mzjA:
0.0		 5e26A-1mzjA:
22.56
5e26B-1mzjA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.80A 5e26A-1on9A:
undetectable
5e26B-1on9A:
undetectable		 5e26A-1on9A:
22.46
5e26B-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 ALA A 163
GLU A 223
GLY A 162
GLY A 156
 None
 0.85A 5e26A-1p43A:
undetectable
5e26B-1p43A:
undetectable		 5e26A-1p43A:
22.76
5e26B-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 ALA A 179
GLY A  44
SER A  88
GLY A  63
 None
 0.88A 5e26A-1p9oA:
undetectable
5e26B-1p9oA:
undetectable		 5e26A-1p9oA:
22.67
5e26B-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 ALA H 194
GLU H  32
GLY H  16
GLY H  44
 None
 0.86A 5e26A-1q5qH:
undetectable
5e26B-1q5qH:
undetectable		 5e26A-1q5qH:
20.53
5e26B-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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A  47
GLU A 393
SER A 409
ARG A 404
GLY A 407
 FAD  A1656 (-3.6A)
FAD  A1656 ( 3.6A)
FAD  A1656 (-2.7A)
FUM  A1657 ( 2.7A)
FAD  A1656 ( 3.0A)
 1.27A 5e26A-1qlbA:
undetectable
5e26B-1qlbA:
undetectable		 5e26A-1qlbA:
19.64
5e26B-1qlbA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN

(Wolinella
succinogenes) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 ALA B  76
GLY B  66
SER B  64
GLY B  63
 None
None
FES  B1240 ( 4.9A)
FES  B1240 (-4.0A)
 0.88A 5e26A-1qlbB:
undetectable
5e26B-1qlbB:
undetectable		 5e26A-1qlbB:
22.95
5e26B-1qlbB:
22.95
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		4 TYR A 258
ALA A 193
GLY A 191
GLY A 167
 None
None
PLP  A 962 (-3.1A)
None
 0.84A 5e26A-1tdjA:
undetectable
5e26B-1tdjA:
undetectable		 5e26A-1tdjA:
22.56
5e26B-1tdjA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		4 TYR A 302
ALA A 130
GLY A  87
GLY A 163
 None
 0.82A 5e26A-1ukcA:
undetectable
5e26B-1ukcA:
undetectable		 5e26A-1ukcA:
22.50
5e26B-1ukcA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 ALA A 515
GLU A 431
GLY A 572
GLY A 584
 None
ACR  A3000 (-3.5A)
None
None
 0.88A 5e26A-1ulvA:
undetectable
5e26B-1ulvA:
undetectable		 5e26A-1ulvA:
16.72
5e26B-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 ALA A 937
GLY A 879
ARG A1073
GLY A 934
 None
 0.89A 5e26A-1vprA:
undetectable
5e26B-1vprA:
undetectable		 5e26A-1vprA:
22.38
5e26B-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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		4 ALA B 164
GLY B 130
SER B 158
GLY B 157
 None
 0.88A 5e26A-1wdwB:
2.0
5e26B-1wdwB:
undetectable		 5e26A-1wdwB:
22.43
5e26B-1wdwB:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 GLU A 143
GLY A  81
SER A 107
GLY A 105
 None
 0.86A 5e26A-1x0uA:
undetectable
5e26B-1x0uA:
undetectable		 5e26A-1x0uA:
21.55
5e26B-1x0uA:
21.55
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 ALA A 210
GLU A 324
GLY A 162
GLY A 164
 GDP  A1002 (-3.4A)
GDP  A1002 (-2.6A)
GDP  A1002 ( 3.8A)
None
 0.81A 5e26A-1xjeA:
undetectable
5e26B-1xjeA:
2.1		 5e26A-1xjeA:
21.27
5e26B-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 ALA A 402
GLY A 430
SER A 426
GLY A 425
 None
 0.78A 5e26A-1xnyA:
undetectable
5e26B-1xnyA:
undetectable		 5e26A-1xnyA:
22.57
5e26B-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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		4 ALA L 229
GLY L 220
SER L 366
GLY L 222
 None
 0.88A 5e26A-2bfuL:
undetectable
5e26B-2bfuL:
undetectable		 5e26A-2bfuL:
21.03
5e26B-2bfuL:
21.03
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 ALA A 177
GLY A  37
SER A  39
GLY A  66
 None
 0.88A 5e26A-2d0dA:
undetectable
5e26B-2d0dA:
undetectable		 5e26A-2d0dA:
21.24
5e26B-2d0dA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3v NEURAL CELL ADHESION
MOLECULE 1, 140 KDA
ISOFORM

(Homo sapiens) 		PF00041
(fn3) 		4 TYR A  43
GLU A  31
GLY A   9
GLY A  91
 None
 0.77A 5e26A-2e3vA:
undetectable
5e26B-2e3vA:
undetectable		 5e26A-2e3vA:
13.41
5e26B-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 ALA A 540
GLU A 493
GLY A 512
GLY A 536
 None
 0.81A 5e26A-2gq3A:
undetectable
5e26B-2gq3A:
undetectable		 5e26A-2gq3A:
19.75
5e26B-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)
 0.22A 5e26A-2i7nA:
23.0
5e26B-2i7nA:
40.9		 5e26A-2i7nA:
83.06
5e26B-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)
 0.19A 5e26A-2i7pA:
37.9
5e26B-2i7pA:
37.8		 5e26A-2i7pA:
82.19
5e26B-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 TYR A  76
GLU A 129
GLY A  43
GLY A  10
 None
 0.89A 5e26A-2jmmA:
undetectable
5e26B-2jmmA:
undetectable		 5e26A-2jmmA:
18.33
5e26B-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.
2nun AVIRULENCE B PROTEIN

(Pseudomonas
savastanoi) 		PF05394
(AvrB_AvrC) 		5 TYR A  70
GLU A 286
GLY A  31
SER A 281
GLY A  77
 None
 1.40A 5e26A-2nunA:
undetectable
5e26B-2nunA:
undetectable		 5e26A-2nunA:
21.03
5e26B-2nunA:
21.03
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 ALA A 228
GLY A 262
ARG A  71
GLY A 225
 None
 0.87A 5e26A-2qy6A:
undetectable
5e26B-2qy6A:
undetectable		 5e26A-2qy6A:
22.45
5e26B-2qy6A:
22.45
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		4 ALA A  47
GLY A  89
SER A  91
GLY A 200
 None
 0.88A 5e26A-2vg9A:
undetectable
5e26B-2vg9A:
undetectable		 5e26A-2vg9A:
19.41
5e26B-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.
2vpi GMP SYNTHASE

(Homo sapiens) 		PF00117
(GATase) 		4 ALA A 187
GLU A 192
SER A  75
GLY A 106
 None
 0.87A 5e26A-2vpiA:
undetectable
5e26B-2vpiA:
undetectable		 5e26A-2vpiA:
24.72
5e26B-2vpiA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TYR A 470
ALA A 422
GLY A 404
GLY A 402
 FAD  A 601 (-4.9A)
None
None
None
 0.77A 5e26A-2wdwA:
undetectable
5e26B-2wdwA:
undetectable		 5e26A-2wdwA:
20.85
5e26B-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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A  49
GLU A 388
SER A 404
ARG A 399
GLY A 402
 FAD  A 601 (-3.3A)
FAD  A 601 ( 3.3A)
FAD  A 601 (-2.9A)
TEO  A1589 (-2.9A)
FAD  A 601 ( 3.2A)
 1.40A 5e26A-2wu5A:
undetectable
5e26B-2wu5A:
undetectable		 5e26A-2wu5A:
21.22
5e26B-2wu5A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 ALA A 159
GLU A 464
GLY A 150
SER A 226
GLY A 148
 None
GOL  A1491 (-4.3A)
NDP  A5502 (-4.5A)
None
None
 1.35A 5e26A-2xdrA:
undetectable
5e26B-2xdrA:
undetectable		 5e26A-2xdrA:
22.93
5e26B-2xdrA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfg ENDOGLUCANASE 1
ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum;
Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 GLU A 390
GLY B 557
SER A 383
GLY A 130
 None
 0.83A 5e26A-2xfgA:
undetectable
5e26B-2xfgA:
undetectable		 5e26A-2xfgA:
19.25
5e26B-2xfgA:
19.25
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 TYR A 570
ALA A 550
GLY A 533
GLY A 529
 None
None
TRS  A1733 (-4.4A)
None
 0.83A 5e26A-2xn1A:
undetectable
5e26B-2xn1A:
undetectable		 5e26A-2xn1A:
20.05
5e26B-2xn1A:
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		4 TYR A 232
ALA A  20
GLY A  16
GLY A  13
 None
 0.87A 5e26A-2y93A:
undetectable
5e26B-2y93A:
undetectable		 5e26A-2y93A:
22.55
5e26B-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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 ALA A 120
GLU A  84
GLY A 144
SER A 140
GLY A 123
 GOL  A1001 ( 4.9A)
None
None
None
None
 1.38A 5e26A-2yy7A:
undetectable
5e26B-2yy7A:
undetectable		 5e26A-2yy7A:
20.91
5e26B-2yy7A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 ALA A 426
GLY A 429
SER A 431
GLY A 443
 None
 0.87A 5e26A-2zuxA:
undetectable
5e26B-2zuxA:
undetectable		 5e26A-2zuxA:
20.57
5e26B-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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		4 ALA A  55
GLY A 375
SER A 306
GLY A 379
 None
 0.88A 5e26A-2zzrA:
undetectable
5e26B-2zzrA:
undetectable		 5e26A-2zzrA:
21.88
5e26B-2zzrA:
21.88
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 ALA A 179
GLY A 155
SER A 151
GLY A 149
 None
 0.67A 5e26A-3a2qA:
undetectable
5e26B-3a2qA:
undetectable		 5e26A-3a2qA:
21.21
5e26B-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
 0.85A 5e26A-3aarA:
5.9
5e26B-3aarA:
5.5		 5e26A-3aarA:
21.48
5e26B-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 ALA A 277
GLY A 249
SER A 251
GLY A 289
 None
 0.71A 5e26A-3afgA:
undetectable
5e26B-3afgA:
undetectable		 5e26A-3afgA:
21.60
5e26B-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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 ALA A 582
GLU A 501
GLY A 574
GLY A 579
 None
 0.87A 5e26A-3cf4A:
undetectable
5e26B-3cf4A:
1.1		 5e26A-3cf4A:
19.46
5e26B-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 ALA A  82
GLU A 320
GLY A  43
GLY A  55
 None
 0.79A 5e26A-3cmuA:
undetectable
5e26B-3cmuA:
undetectable		 5e26A-3cmuA:
11.25
5e26B-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 ALA A1082
GLU A1320
GLY A1043
GLY A1055
 None
 0.82A 5e26A-3cmuA:
undetectable
5e26B-3cmuA:
undetectable		 5e26A-3cmuA:
11.25
5e26B-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 ALA A2082
GLU A2320
GLY A2043
GLY A2055
 None
 0.82A 5e26A-3cmuA:
undetectable
5e26B-3cmuA:
undetectable		 5e26A-3cmuA:
11.25
5e26B-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 ALA A3082
GLU A3320
GLY A3043
GLY A3055
 None
 0.84A 5e26A-3cmuA:
undetectable
5e26B-3cmuA:
undetectable		 5e26A-3cmuA:
11.25
5e26B-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 ALA A4082
GLU A4320
GLY A4043
GLY A4055
 None
 0.83A 5e26A-3cmuA:
undetectable
5e26B-3cmuA:
undetectable		 5e26A-3cmuA:
11.25
5e26B-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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 ALA A 119
GLY A  44
SER A  67
GLY A  66
 None
SAH  A 308 (-3.6A)
None
None
 0.88A 5e26A-3g5tA:
undetectable
5e26B-3g5tA:
undetectable		 5e26A-3g5tA:
22.76
5e26B-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 TYR A 235
GLU A 425
GLY A 227
ARG A 236
GLY A 292
 None
 1.42A 5e26A-3hlkA:
undetectable
5e26B-3hlkA:
undetectable		 5e26A-3hlkA:
21.48
5e26B-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 ALA A 251
GLU A 261
GLY A 253
GLY A 248
 None
 0.73A 5e26A-3hsiA:
undetectable
5e26B-3hsiA:
undetectable		 5e26A-3hsiA:
23.19
5e26B-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 ALA A 137
GLU A 185
GLY A 144
GLY A 162
 None
 0.68A 5e26A-3htvA:
4.0
5e26B-3htvA:
undetectable		 5e26A-3htvA:
23.04
5e26B-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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A  40
ALA A  92
GLY A  95
SER A 114
GLY A 117
 None
 1.34A 5e26A-3i3wA:
undetectable
5e26B-3i3wA:
undetectable		 5e26A-3i3wA:
21.78
5e26B-3i3wA:
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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 TYR A  51
ALA A  56
GLY A  58
GLY A 120
 None
 0.87A 5e26A-3ibxA:
undetectable
5e26B-3ibxA:
undetectable		 5e26A-3ibxA:
21.02
5e26B-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 ALA A 165
GLY A 133
ARG A  49
GLY A 168
 None
 0.73A 5e26A-3ifcA:
undetectable
5e26B-3ifcA:
undetectable		 5e26A-3ifcA:
23.00
5e26B-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.
3m7n PUTATIVE
UNCHARACTERIZED
PROTEIN AF_0206

(Archaeoglobus
fulgidus) 		PF10447
(EXOSC1)
PF14382
(ECR1_N) 		4 ALA A  32
GLY A  21
SER A  48
GLY A  35
 None
 0.74A 5e26A-3m7nA:
undetectable
5e26B-3m7nA:
undetectable		 5e26A-3m7nA:
18.82
5e26B-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 ALA A 297
GLY A 295
SER A 344
GLY A 345
 None
PLP  A1001 (-3.4A)
None
PLP  A1001 (-3.3A)
 0.83A 5e26A-3n2oA:
undetectable
5e26B-3n2oA:
4.0		 5e26A-3n2oA:
21.05
5e26B-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 TYR B 393
ALA B 460
GLY B 458
GLY B 502
 None
 0.83A 5e26A-3ns1B:
undetectable
5e26B-3ns1B:
undetectable		 5e26A-3ns1B:
23.44
5e26B-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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		4 ALA A  54
GLY A 192
SER A 196
GLY A  60
 None
 0.88A 5e26A-3p41A:
undetectable
5e26B-3p41A:
undetectable		 5e26A-3p41A:
21.00
5e26B-3p41A:
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.
3p94 GDSL-LIKE LIPASE

(Parabacteroides
distasonis) 		PF13472
(Lipase_GDSL_2) 		4 ALA A 105
GLU A  84
ARG A  88
GLY A  76
 None
 0.85A 5e26A-3p94A:
undetectable
5e26B-3p94A:
undetectable		 5e26A-3p94A:
19.51
5e26B-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.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 TYR A  80
ALA A 130
GLY A 136
ARG A  55
 HLC  A 266 (-4.7A)
HLC  A 266 ( 4.3A)
None
None
 0.87A 5e26A-3qp5A:
undetectable
5e26B-3qp5A:
undetectable		 5e26A-3qp5A:
21.08
5e26B-3qp5A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		4 ALA A  40
GLU A  83
GLY A  37
GLY A 127
 None
 0.84A 5e26A-3r7tA:
undetectable
5e26B-3r7tA:
undetectable		 5e26A-3r7tA:
21.63
5e26B-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 TYR A 133
ALA A 125
GLU A 414
GLY A 129
 None
 0.83A 5e26A-3uj2A:
undetectable
5e26B-3uj2A:
undetectable		 5e26A-3uj2A:
22.54
5e26B-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 ALA A 167
GLY A 181
SER A 191
GLY A 190
 None
 0.78A 5e26A-3v4pA:
undetectable
5e26B-3v4pA:
undetectable		 5e26A-3v4pA:
20.33
5e26B-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 ALA A 233
GLU A  92
GLY A 237
GLY A  54
 None
 0.87A 5e26A-3vscA:
2.8
5e26B-3vscA:
2.5		 5e26A-3vscA:
22.10
5e26B-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.
3vzq ACETOACETYL-COA
REDUCTASE

(Cupriavidus
necator) 		PF00106
(adh_short) 		4 ALA A  57
SER A  38
ARG A  40
GLY A  35
 None
 0.89A 5e26A-3vzqA:
undetectable
5e26B-3vzqA:
undetectable		 5e26A-3vzqA:
20.81
5e26B-3vzqA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 TYR A  92
ALA A 153
GLY A 141
SER A 138
GLY A 137
 None
 1.29A 5e26A-3wtbA:
undetectable
5e26B-3wtbA:
undetectable		 5e26A-3wtbA:
22.45
5e26B-3wtbA:
22.45
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		4 ALA A 506
GLU A 563
GLY A 529
SER A 736
 None
 0.87A 5e26A-4am6A:
undetectable
5e26B-4am6A:
9.6		 5e26A-4am6A:
19.60
5e26B-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.
4bz4 COPPER-REPRESSIBLE
POLYPEPTIDE

(Methylomicrobium
album) 		no annotation 4 ALA A 219
GLY A 217
SER A 210
GLY A 209
 None
 0.88A 5e26A-4bz4A:
undetectable
5e26B-4bz4A:
undetectable		 5e26A-4bz4A:
18.97
5e26B-4bz4A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ALA A 206
GLU A 135
GLY A 208
GLY A 247
 None
TRS  A 401 (-2.9A)
None
None
 0.88A 5e26A-4ee9A:
undetectable
5e26B-4ee9A:
undetectable		 5e26A-4ee9A:
22.96
5e26B-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 ALA A 545
GLU A 498
GLY A 517
GLY A 541
 None
 0.85A 5e26A-4ex4A:
2.3
5e26B-4ex4A:
undetectable		 5e26A-4ex4A:
17.70
5e26B-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 ALA A 356
GLY A 354
ARG A 326
GLY A 332
 MG  A 501 (-4.5A)
None
None
None
 0.87A 5e26A-4f0qA:
undetectable
5e26B-4f0qA:
undetectable		 5e26A-4f0qA:
23.62
5e26B-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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		4 ALA B 191
GLY B 189
ARG B 144
GLY B 194
 None
 0.75A 5e26A-4i0wB:
1.9
5e26B-4i0wB:
undetectable		 5e26A-4i0wB:
23.89
5e26B-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 5e26A-4j7qA:
undetectable
5e26B-4j7qA:
undetectable		 5e26A-4j7qA:
22.14
5e26B-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 ALA A  79
GLY A 160
SER A 221
GLY A 220
 None
 0.79A 5e26A-4ktpA:
undetectable
5e26B-4ktpA:
undetectable		 5e26A-4ktpA:
18.25
5e26B-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 TYR A 201
ALA A  16
GLU A 199
GLY A 114
GLY A  20
 None
 1.18A 5e26A-4mjkA:
undetectable
5e26B-4mjkA:
undetectable		 5e26A-4mjkA:
21.95
5e26B-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 ALA A 223
GLY A 208
SER A 206
GLY A 226
 None
 0.84A 5e26A-4mnrA:
undetectable
5e26B-4mnrA:
undetectable		 5e26A-4mnrA:
22.49
5e26B-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 TYR A 222
ALA A  20
GLY A  16
GLY A  12
 None
 0.87A 5e26A-4nbvA:
undetectable
5e26B-4nbvA:
undetectable		 5e26A-4nbvA:
21.04
5e26B-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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		4 ALA A 269
GLY A 271
SER A 276
GLY A 150
 None
 0.89A 5e26A-4nx1A:
undetectable
5e26B-4nx1A:
undetectable		 5e26A-4nx1A:
22.39
5e26B-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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		4 TYR A 435
ALA A 351
GLY A 348
GLY A 483
 None
 0.89A 5e26A-4qjyA:
undetectable
5e26B-4qjyA:
undetectable		 5e26A-4qjyA:
21.00
5e26B-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 TYR A 125
ALA A  90
GLU A 170
SER A  48
GLY A  56
 None
None
CA  A 303 (-3.0A)
CA  A 303 ( 4.1A)
None
 1.26A 5e26A-4rusA:
undetectable
5e26B-4rusA:
undetectable		 5e26A-4rusA:
20.82
5e26B-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
 0.64A 5e26A-4rz2A:
3.6
5e26B-4rz2A:
3.8		 5e26A-4rz2A:
21.43
5e26B-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) 		4 TYR A 335
GLY A 330
SER A 328
GLY A 324
 None
 0.80A 5e26A-4upkA:
undetectable
5e26B-4upkA:
undetectable		 5e26A-4upkA:
20.58
5e26B-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 ALA A  28
GLU A  21
GLY A  32
GLY A  96
 None
 0.88A 5e26A-4wjbA:
undetectable
5e26B-4wjbA:
undetectable		 5e26A-4wjbA:
21.76
5e26B-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 TYR A 392
ALA A 459
GLY A 457
GLY A 501
 NAI  A3005 (-4.5A)
NAI  A3005 (-4.8A)
NAI  A3005 (-3.3A)
NAI  A3005 (-3.3A)
 0.73A 5e26A-4yswA:
undetectable
5e26B-4yswA:
undetectable		 5e26A-4yswA:
14.13
5e26B-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 TYR A 132
ALA A 124
GLU A 411
GLY A 128
 None
 0.84A 5e26A-4z17A:
undetectable
5e26B-4z17A:
undetectable		 5e26A-4z17A:
21.06
5e26B-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 ALA A  51
GLY A  53
SER A  55
ARG A 113
GLY A  71
 None
 1.04A 5e26A-4zy7A:
undetectable
5e26B-4zy7A:
undetectable		 5e26A-4zy7A:
16.48
5e26B-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 TYR A 133
ALA A 125
GLU A 416
GLY A 129
 GOL  A 503 (-4.9A)
None
GOL  A 503 (-3.0A)
None
 0.84A 5e26A-5boeA:
undetectable
5e26B-5boeA:
undetectable		 5e26A-5boeA:
23.09
5e26B-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 ALA A 274
GLU A  57
GLY A 277
GLY A  43
 None
7E8  A 401 ( 4.1A)
None
None
 0.81A 5e26A-5bz3A:
undetectable
5e26B-5bz3A:
undetectable		 5e26A-5bz3A:
22.84
5e26B-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 TYR A 300
GLU A 306
GLY A 593
GLY B 340
 None
 0.77A 5e26A-5c2vA:
undetectable
5e26B-5c2vA:
undetectable		 5e26A-5c2vA:
19.27
5e26B-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.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 TYR A 172
ALA A 215
GLY A 228
SER A 230
GLY A 254
 None
 1.26A 5e26A-5cvoA:
undetectable
5e26B-5cvoA:
undetectable		 5e26A-5cvoA:
21.17
5e26B-5cvoA:
21.17
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF00115
(COX1)
PF02433
(FixO) 		4 TYR A 123
GLY B  67
SER B 102
GLY B 101
 HEM  A 502 ( 4.7A)
None
CA  A 507 ( 2.0A)
None
 0.86A 5e26A-5djqA:
undetectable
5e26B-5djqA:
undetectable		 5e26A-5djqA:
23.93
5e26B-5djqA:
23.93
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)
 0.17A 5e26A-5e26A:
60.2
5e26B-5e26A:
55.8		 5e26A-5e26A:
100.00
5e26B-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 ALA A 451
GLU A 508
GLY A 454
GLY A 515
 None
ZN  A 801 (-2.2A)
None
None
 0.80A 5e26A-5e3cA:
undetectable
5e26B-5e3cA:
undetectable		 5e26A-5e3cA:
21.25
5e26B-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.
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 5e26A-5elzA:
29.5
5e26B-5elzA:
29.6		 5e26A-5elzA:
26.26
5e26B-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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		4 ALA B 166
GLY B 132
SER B 160
GLY B 159
 None
 0.89A 5e26A-5ey5B:
undetectable
5e26B-5ey5B:
undetectable		 5e26A-5ey5B:
21.41
5e26B-5ey5B:
21.41