SIMILAR PATTERNS OF AMINO ACIDS FOR 5E26_A_PAUA602_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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		4 GLU A 196
GLY A 374
SER A 401
GLY A 399
 None
 1.00A 5e26A-13pkA:
2.3
5e26B-13pkA:
0.0		 5e26A-13pkA:
22.97
5e26B-13pkA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 GLY A 422
ARG A 445
TYR A 258
ALA A 420
 None
 1.00A 5e26A-1e1cA:
2.8
5e26B-1e1cA:
2.6		 5e26A-1e1cA:
18.50
5e26B-1e1cA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 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 GLY A 133
ARG A  49
GLY A 168
ALA A 165
 None
 0.77A 5e26A-1ftaA:
undetectable
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.
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
 0.88A 5e26A-1hh2P:
undetectable
5e26B-1hh2P:
undetectable		 5e26A-1hh2P:
22.14
5e26B-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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 GLY A 299
SER A 297
GLY A 323
ALA A 260
 None
 1.01A 5e26A-1ia5A:
undetectable
5e26B-1ia5A:
undetectable		 5e26A-1ia5A:
21.04
5e26B-1ia5A:
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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		4 GLU A 135
GLY A 121
GLY A 227
ALA A 123
 None
 0.94A 5e26A-1j33A:
2.6
5e26B-1j33A:
2.2		 5e26A-1j33A:
24.14
5e26B-1j33A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		4 GLY A 185
SER A 225
GLY A  47
ALA A 189
 None
 0.96A 5e26A-1kplA:
undetectable
5e26B-1kplA:
undetectable		 5e26A-1kplA:
21.65
5e26B-1kplA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 GLU A 317
GLY A 487
GLY A 180
TYR A 144
 None
 0.86A 5e26A-1mb9A:
undetectable
5e26B-1mb9A:
undetectable		 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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 GLU H  32
GLY H  16
GLY H  44
ALA H 194
 None
 0.88A 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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 4 GLY A 434
GLY A 304
TYR A 323
ALA A 431
 None
 0.99A 5e26A-1qi9A:
undetectable
5e26B-1qi9A:
undetectable		 5e26A-1qi9A:
19.61
5e26B-1qi9A:
19.61
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.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLY A 166
ARG A 539
GLY A 541
ALA A 164
 FAD  A 605 (-4.3A)
FAD  A 605 (-4.3A)
FAD  A 605 ( 4.8A)
FAD  A 605 (-3.5A)
 0.97A 5e26A-1qo8A:
undetectable
5e26B-1qo8A:
undetectable		 5e26A-1qo8A:
21.05
5e26B-1qo8A:
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		4 GLU A  11
GLY A 157
GLY A  99
TYR A 290
 None
 0.99A 5e26A-1xknA:
undetectable
5e26B-1xknA:
undetectable		 5e26A-1xknA:
22.46
5e26B-1xknA:
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 GLY A 517
SER A 493
GLY A 479
ALA A 537
 None
 0.95A 5e26A-1yiqA:
undetectable
5e26B-1yiqA:
undetectable		 5e26A-1yiqA:
20.67
5e26B-1yiqA:
20.67
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.
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
 0.88A 5e26A-2a4kA:
undetectable
5e26B-2a4kA:
undetectable		 5e26A-2a4kA:
21.39
5e26B-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.
2e7j SEP-TRNA:CYS-TRNA
SYNTHASE

(Archaeoglobus
fulgidus) 		PF05889
(SepSecS) 		4 GLY A 205
GLY A 189
TYR A 155
ALA A 185
 None
None
None
PLP  A1209 ( 3.7A)
 1.00A 5e26A-2e7jA:
undetectable
5e26B-2e7jA:
undetectable		 5e26A-2e7jA:
21.81
5e26B-2e7jA:
21.81
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)
 0.28A 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)
 0.17A 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.
2kts HEAT SHOCK PROTEIN
HSLJ

(Escherichia
coli) 		PF03724
(META) 		4 GLY A  49
SER A  40
GLY A  41
ALA A  64
 None
 0.83A 5e26A-2ktsA:
undetectable
5e26B-2ktsA:
undetectable		 5e26A-2ktsA:
15.89
5e26B-2ktsA:
15.89
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.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE

(Rhinovirus C) 		PF00947
(Pico_P2A) 		4 GLY A 122
GLY A 125
TYR A  58
ALA A 128
 None
 0.93A 5e26A-2m5tA:
undetectable
5e26B-2m5tA:
undetectable		 5e26A-2m5tA:
17.51
5e26B-2m5tA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nun AVIRULENCE B PROTEIN

(Pseudomonas
savastanoi) 		PF05394
(AvrB_AvrC) 		4 GLY A  77
GLY A 284
TYR A  70
ALA A 278
 None
 0.93A 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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 GLY A  50
ARG A 142
GLY A  45
ALA A  48
 DTP  A 301 ( 4.5A)
DTP  A 301 (-3.2A)
None
DTP  A 301 (-4.6A)
 0.92A 5e26A-2ocpA:
undetectable
5e26B-2ocpA:
undetectable		 5e26A-2ocpA:
21.98
5e26B-2ocpA:
21.98
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLY A 262
ARG A  71
GLY A 225
ALA A 228
 None
 0.91A 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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		4 GLY A 185
SER A 225
GLY A  47
ALA A 189
 None
 0.95A 5e26A-2r9hA:
undetectable
5e26B-2r9hA:
undetectable		 5e26A-2r9hA:
24.62
5e26B-2r9hA:
24.62
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 SER A1088
GLY A1134
TYR A1499
ALA A1129
 None
 0.98A 5e26A-2ri8A:
undetectable
5e26B-2ri8A:
undetectable		 5e26A-2ri8A:
22.80
5e26B-2ri8A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 GLY G 370
SER G 386
GLY G 385
ALA G 372
 None
 0.99A 5e26A-2vdcG:
undetectable
5e26B-2vdcG:
undetectable		 5e26A-2vdcG:
21.69
5e26B-2vdcG:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpi GMP SYNTHASE

(Homo sapiens) 		PF00117
(GATase) 		4 GLU A 192
GLY A 102
SER A  75
ALA A 187
 None
 0.98A 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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 388
SER A 404
ARG A 399
GLY A 402
 FAD  A 601 ( 3.3A)
FAD  A 601 (-2.9A)
TEO  A1589 (-2.9A)
FAD  A 601 ( 3.2A)
 0.89A 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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLY X 207
SER X 198
GLY X 201
ALA X 205
 None
 1.01A 5e26A-2y9eX:
undetectable
5e26B-2y9eX:
undetectable		 5e26A-2y9eX:
19.87
5e26B-2y9eX:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 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
 0.83A 5e26A-3aarA:
5.9
5e26B-3aarA:
5.4		 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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		4 GLU A 320
GLY A  43
GLY A  55
ALA A  82
 None
 0.90A 5e26A-3cmvA:
undetectable
5e26B-3cmvA:
undetectable		 5e26A-3cmvA:
14.51
5e26B-3cmvA:
14.51
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		4 GLU A 205
SER A 203
GLY A 366
ALA A 279
 None
 0.96A 5e26A-3d4jA:
undetectable
5e26B-3d4jA:
undetectable		 5e26A-3d4jA:
20.80
5e26B-3d4jA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dea CUTINASE

(Colletotrichum
gloeosporioides) 		PF01083
(Cutinase) 		4 GLY A 138
GLY A 133
TYR A 207
ALA A  56
 None
None
None
HZH  A 401 (-3.2A)
 0.97A 5e26A-3deaA:
2.5
5e26B-3deaA:
2.2		 5e26A-3deaA:
18.90
5e26B-3deaA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 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) 		4 GLY A 227
ARG A 236
GLY A 292
TYR A 235
 None
 1.00A 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 GLU A 261
GLY A 253
GLY A 248
ALA A 251
 None
 0.77A 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.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		4 GLU B  49
GLY B  21
GLY B  56
ALA B 122
 None
 0.92A 5e26A-3hstB:
3.6
5e26B-3hstB:
3.5		 5e26A-3hstB:
19.17
5e26B-3hstB:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 GLU A 185
GLY A 144
GLY A 162
ALA A 137
 None
 0.68A 5e26A-3htvA:
4.4
5e26B-3htvA:
5.0		 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.
3ibx PUTATIVE THIAMINASE
II

(Helicobacter
pylori) 		PF03070
(TENA_THI-4) 		4 GLY A  58
GLY A 120
TYR A  51
ALA A  56
 None
 0.85A 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 GLY A 133
ARG A  49
GLY A 168
ALA A 165
 None
 0.71A 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.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)

(Bacillus
licheniformis) 		PF07451
(SpoVAD) 		4 GLU A 115
GLY A 108
SER A 111
GLY A 308
 None
 0.92A 5e26A-3lmaA:
undetectable
5e26B-3lmaA:
undetectable		 5e26A-3lmaA:
22.86
5e26B-3lmaA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx3 SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		4 GLU A 476
GLY A 141
TYR A 150
ALA A 138
 None
 0.98A 5e26A-3mx3A:
undetectable
5e26B-3mx3A:
undetectable		 5e26A-3mx3A:
22.13
5e26B-3mx3A:
22.13
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.
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
 0.77A 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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLU A 343
GLY A 333
SER A 335
GLY A 234
 K  A 408 (-3.5A)
None
None
None
 1.00A 5e26A-3oytA:
undetectable
5e26B-3oytA:
undetectable		 5e26A-3oytA:
25.05
5e26B-3oytA:
25.05
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 GLY A 348
SER A 344
GLY A 279
ALA A 350
 None
SO4  A 450 (-2.7A)
SO4  A 449 (-3.5A)
None
 0.98A 5e26A-3r0zA:
undetectable
5e26B-3r0zA:
1.5		 5e26A-3r0zA:
22.34
5e26B-3r0zA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		4 GLU A  83
GLY A  37
GLY A 127
ALA A  40
 None
 0.87A 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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 GLY A 287
SER A 279
TYR A  86
ALA A 283
 None
 1.01A 5e26A-3rysA:
undetectable
5e26B-3rysA:
1.6		 5e26A-3rysA:
22.08
5e26B-3rysA:
22.08
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.
3uw5 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7,
BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		4 GLU A  88
SER A  86
GLY A  85
ALA A 109
 None
 0.99A 5e26A-3uw5A:
undetectable
5e26B-3uw5A:
undetectable		 5e26A-3uw5A:
16.67
5e26B-3uw5A:
16.67
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.
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
 0.81A 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.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		4 GLY A  96
GLY A 118
TYR A 152
ALA A 122
 None
 0.95A 5e26A-3vmwA:
undetectable
5e26B-3vmwA:
undetectable		 5e26A-3vmwA:
20.88
5e26B-3vmwA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		4 GLU A  66
GLY A 110
SER A 112
GLY A 156
 None
 0.92A 5e26A-3w4rA:
undetectable
5e26B-3w4rA:
1.3		 5e26A-3w4rA:
21.14
5e26B-3w4rA:
21.14
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.
4bz4 COPPER-REPRESSIBLE
POLYPEPTIDE

(Methylomicrobium
album) 		no annotation 4 GLY A 217
SER A 210
GLY A 209
ALA A 219
 None
 0.92A 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 GLU A 135
GLY A 208
GLY A 247
ALA A 206
 TRS  A 401 (-2.9A)
None
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 GLU A 498
GLY A 517
GLY A 541
ALA A 545
 None
 0.81A 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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		4 GLY A  12
GLY A 159
TYR A  29
ALA A   8
 None
None
None
EDO  A 511 (-4.1A)
 0.96A 5e26A-4hb9A:
undetectable
5e26B-4hb9A:
undetectable		 5e26A-4hb9A:
21.67
5e26B-4hb9A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		4 GLY B 189
ARG B 144
GLY B 194
ALA B 191
 None
 0.72A 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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 324
SER A  20
GLY A  18
ALA A 321
 None
None
None
FAD  A 512 (-3.4A)
 0.97A 5e26A-4jq9A:
undetectable
5e26B-4jq9A:
undetectable		 5e26A-4jq9A:
22.08
5e26B-4jq9A:
22.08
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.
4js1 BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 1

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		4 GLU A 251
ARG A 210
GLY A 224
ALA A 217
 None
 0.94A 5e26A-4js1A:
undetectable
5e26B-4js1A:
undetectable		 5e26A-4js1A:
21.29
5e26B-4js1A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 GLU A 161
GLY A 228
GLY A 201
TYR A  69
 SAM  A 402 (-2.8A)
None
None
SAM  A 402 (-4.6A)
 0.94A 5e26A-4jxcA:
undetectable
5e26B-4jxcA:
undetectable		 5e26A-4jxcA:
23.23
5e26B-4jxcA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 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.
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
 0.95A 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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 4 GLU M 441
GLY M 392
GLY M 388
TYR M 377
 None
 0.98A 5e26A-4nzrM:
undetectable
5e26B-4nzrM:
undetectable		 5e26A-4nzrM:
20.75
5e26B-4nzrM:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rus FISH-EGG LECTIN

(Cyprinus carpio) 		PF06462
(Hyd_WA) 		4 GLU A 170
SER A  48
TYR A 125
ALA A  90
 CA  A 303 (-3.0A)
CA  A 303 ( 4.1A)
None
None
 0.98A 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.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		4 GLY H  69
SER H  98
GLY H 100
ALA H  35
 None
MLI  H 301 (-3.5A)
None
None
 0.92A 5e26A-4ryfH:
undetectable
5e26B-4ryfH:
undetectable		 5e26A-4ryfH:
19.10
5e26B-4ryfH:
19.10
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.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		4 GLU A 165
GLY A  32
ARG A 194
GLY A  35
 None
 0.67A 5e26A-4rz2A:
3.7
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 GLY A 330
SER A 328
GLY A 324
TYR A 335
 None
 0.78A 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.
4usq PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Cellvibrio sp.
BR) 		PF13738
(Pyr_redox_3) 		4 GLY A 328
SER A 346
GLY A 344
ALA A 338
 FAD  A1361 (-4.2A)
None
None
None
 0.99A 5e26A-4usqA:
undetectable
5e26B-4usqA:
undetectable		 5e26A-4usqA:
19.95
5e26B-4usqA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvm STONUSTOXIN SUBUNIT
ALPHA

(Synanceia
horrida) 		PF00622
(SPRY)
PF13765
(PRY) 		4 GLY A 595
GLY A 613
TYR A 598
ALA A 688
 None
 1.00A 5e26A-4wvmA:
undetectable
5e26B-4wvmA:
undetectable		 5e26A-4wvmA:
21.45
5e26B-4wvmA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb1 319AA LONG
HYPOTHETICAL
HOMOSERINE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 GLU A  19
GLY A 297
ARG A  15
GLY A  11
 None
None
None
NDP  A1001 (-3.4A)
 0.96A 5e26A-4xb1A:
undetectable
5e26B-4xb1A:
undetectable		 5e26A-4xb1A:
22.56
5e26B-4xb1A:
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE
PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7;
Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 GLU C 573
GLY A 116
GLY A  38
ALA A 118
 None
 0.94A 5e26A-4yfaC:
undetectable
5e26B-4yfaC:
undetectable		 5e26A-4yfaC:
22.57
5e26B-4yfaC:
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.
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)
 0.71A 5e26A-4yswA:
undetectable
5e26B-4yswA:
undetectable		 5e26A-4yswA:
14.13
5e26B-4yswA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 GLU A1016
SER A1019
ARG A1178
GLY A1024
 None
 0.98A 5e26A-5a22A:
undetectable
5e26B-5a22A:
undetectable		 5e26A-5a22A:
10.39
5e26B-5a22A:
10.39
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 4 GLY A 535
GLY A 595
TYR A 530
ALA A 533
 None
 0.98A 5e26A-5awpA:
undetectable
5e26B-5awpA:
undetectable		 5e26A-5awpA:
21.04
5e26B-5awpA:
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		4 GLY A 128
SER A  13
GLY A  11
ALA A 130
 2PN  A 301 (-3.3A)
2PN  A 301 (-3.9A)
2PN  A 301 (-3.2A)
PAU  A 302 ( 4.4A)
 0.97A 5e26A-5b8hA:
11.7
5e26B-5b8hA:
10.9		 5e26A-5b8hA:
22.69
5e26B-5b8hA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 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 GLU A  57
GLY A 277
GLY A  43
ALA A 274
 7E8  A 401 ( 4.1A)
None
None
None
 0.83A 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 GLU A 306
GLY A 593
GLY B 340
TYR A 300
 None
 0.79A 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.
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 5e26A-5djqB:
undetectable
5e26B-5djqB:
undetectable		 5e26A-5djqB:
20.47
5e26B-5djqB:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dss MP-4

(Mucuna pruriens) 		PF00197
(Kunitz_legume) 		4 GLY B 101
GLY B 120
TYR B 158
ALA B 108
 None
 1.01A 5e26A-5dssB:
undetectable
5e26B-5dssB:
undetectable		 5e26A-5dssB:
20.83
5e26B-5dssB:
20.83
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)
 0.02A 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 GLU A 508
GLY A 454
GLY A 515
ALA A 451
 ZN  A 801 (-2.2A)
None
None
None
 0.83A 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)
 0.50A 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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		4 GLY A  80
ARG A 477
GLY A 479
ALA A  77
 FAD  A 602 (-3.9A)
SIN  A 601 ( 2.9A)
SIN  A 601 (-3.6A)
FAD  A 602 (-3.2A)
 0.95A 5e26A-5glgA:
undetectable
5e26B-5glgA:
undetectable		 5e26A-5glgA:
21.33
5e26B-5glgA:
21.33
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.
5hqw PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		4 GLU A2445
GLY A2466
SER A2464
ALA A2468
 None
 0.97A 5e26A-5hqwA:
undetectable
5e26B-5hqwA:
undetectable		 5e26A-5hqwA:
21.27
5e26B-5hqwA:
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.
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
 0.86A 5e26A-5i67A:
undetectable
5e26B-5i67A:
undetectable		 5e26A-5i67A:
22.24
5e26B-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.
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
 0.87A 5e26A-5jb3K:
undetectable
5e26B-5jb3K:
undetectable		 5e26A-5jb3K:
18.44
5e26B-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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 GLY A 105
SER A 206
TYR A  88
ALA A 203
 None
 0.88A 5e26A-5jxkA:
undetectable
5e26B-5jxkA:
undetectable		 5e26A-5jxkA:
19.57
5e26B-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
 0.85A 5e26A-5kjoA:
undetectable
5e26B-5kjoA:
undetectable		 5e26A-5kjoA:
16.94
5e26B-5kjoA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m04 GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		4 GLY A 224
SER A  -1
GLY A  -2
ALA A 222
 None
 0.96A 5e26A-5m04A:
undetectable
5e26B-5m04A:
undetectable		 5e26A-5m04A:
23.33
5e26B-5m04A:
23.33
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 GLY A1553
GLY A1541
TYR A1564
ALA A1549
 None
 0.88A 5e26A-5m59A:
undetectable
5e26B-5m59A:
undetectable		 5e26A-5m59A:
11.78
5e26B-5m59A:
11.78
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.
5mje CYTOTOXIC
TRANSLATIONAL
REPRESSOR OF
TOXIN-ANTITOXIN
STABILITY SYSTEM

(Vibrio cholerae) 		PF06296
(RelE) 		4 GLU A  23
GLY A  61
SER A  63
GLY A  83
 None
 0.96A 5e26A-5mjeA:
undetectable
5e26B-5mjeA:
undetectable		 5e26A-5mjeA:
17.26
5e26B-5mjeA:
17.26
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.
5t5c NUCLEASE EXOG,
MITOCHONDRIAL

(Homo sapiens) 		PF01223
(Endonuclease_NS) 		4 GLU A  96
SER A 196
GLY A 197
ALA A 140
 None
None
None
MG  A 401 ( 4.8A)
 0.94A 5e26A-5t5cA:
undetectable
5e26B-5t5cA:
undetectable		 5e26A-5t5cA:
20.62
5e26B-5t5cA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		4 GLY A 110
SER A  53
GLY A  50
ALA A 107
 None
 0.87A 5e26A-5wueA:
undetectable
5e26B-5wueA:
undetectable		 5e26A-5wueA:
21.98
5e26B-5wueA:
21.98
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.
6bzh PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Mus musculus) 		no annotation 4 GLY A  49
ARG A 161
TYR A  24
ALA A  53
 None
 0.70A 5e26A-6bzhA:
undetectable
5e26B-6bzhA:
undetectable		 5e26A-6bzhA:
undetectable
5e26B-6bzhA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 4 GLY A 155
SER A 151
GLY A 149
ALA A 179
 None
 0.69A 5e26A-6c62A:
undetectable
5e26B-6c62A:
undetectable		 5e26A-6c62A:
undetectable
5e26B-6c62A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dnh PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 4 GLY B 350
SER B 355
GLY B 354
ALA B 334
 None
 0.84A 5e26A-6dnhB:
undetectable
5e26B-6dnhB:
undetectable		 5e26A-6dnhB:
undetectable
5e26B-6dnhB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 4 SER A  89
GLY A  90
TYR A 323
ALA A 238
 None
None
OLC  A 503 (-3.7A)
None
 0.93A 5e26A-6f34A:
undetectable
5e26B-6f34A:
undetectable		 5e26A-6f34A:
undetectable
5e26B-6f34A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 GLY A 299
SER A 765
GLY A 762
ALA A 301
 None
 0.82A 5e26A-6fn1A:
undetectable
5e26B-6fn1A:
undetectable		 5e26A-6fn1A:
undetectable
5e26B-6fn1A:
undetectable