SIMILAR PATTERNS OF AMINO ACIDS FOR 3BEX_F_PAUF248

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.
1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT

(Desulfovibrio
desulfuricans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 THR A  39
LEU A  35
THR A  27
VAL A 162
GLY A 159
 None
 1.41A 3bexE-1e3dA:
0.5
3bexF-1e3dA:
undetectable		 3bexE-1e3dA:
20.36
3bexF-1e3dA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.01A 3bexE-1eblA:
undetectable
3bexF-1eblA:
0.0		 3bexE-1eblA:
23.08
3bexF-1eblA:
23.08
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.
1fxk PROTEIN (PREFOLDIN)

(Methanothermobacter
thermautotrophicus) 		PF02996
(Prefoldin) 		5 THR C  56
LEU C  70
THR C  73
THR C  44
ILE C  48
 None
 1.35A 3bexE-1fxkC:
undetectable
3bexF-1fxkC:
undetectable		 3bexE-1fxkC:
19.26
3bexF-1fxkC:
19.26
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexE-1kclA:
undetectable
3bexF-1kclA:
undetectable		 3bexE-1kclA:
15.87
3bexF-1kclA:
15.87
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.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		5 THR A  50
LEU A  88
VAL A 115
GLY A  81
ILE A  32
 None
 1.18A 3bexE-1kpbA:
undetectable
3bexF-1kpbA:
undetectable		 3bexE-1kpbA:
19.76
3bexF-1kpbA:
19.76
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 THR A 178
ASN A 212
GLY A 154
THR A 197
ILE A 195
 None
 1.36A 3bexE-1l1jA:
undetectable
3bexF-1l1jA:
undetectable		 3bexE-1l1jA:
23.19
3bexF-1l1jA:
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 703
LEU A 698
THR A 696
GLY A 725
ASP A 724
 None
 1.33A 3bexE-1p2zA:
undetectable
3bexF-1p2zA:
undetectable		 3bexE-1p2zA:
14.15
3bexF-1p2zA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 5 LEU B 267
THR B 223
VAL B 236
GLY B 220
THR B 246
 None
 1.24A 3bexE-1pbyB:
undetectable
3bexF-1pbyB:
undetectable		 3bexE-1pbyB:
20.57
3bexF-1pbyB:
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.03A 3bexE-1qguA:
1.0
3bexF-1qguA:
2.2		 3bexE-1qguA:
19.17
3bexF-1qguA:
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.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 LEU A 108
THR A 130
GLY A 105
ARG A 134
ILE A 101
 None
 1.38A 3bexE-1sjjA:
undetectable
3bexF-1sjjA:
undetectable		 3bexE-1sjjA:
14.41
3bexF-1sjjA:
14.41
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
THR A 168
GLY A 142
ASP A 141
THR A 165
 None
 1.04A 3bexE-1smlA:
undetectable
3bexF-1smlA:
undetectable		 3bexE-1smlA:
20.47
3bexF-1smlA:
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		5 THR A 198
LEU A 202
ASN A 155
GLY A 165
ILE A 171
 None
 1.27A 3bexE-1t9kA:
undetectable
3bexF-1t9kA:
undetectable		 3bexE-1t9kA:
22.16
3bexF-1t9kA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0l PROBABLE GTPASE ENGC

(Thermotoga
maritima) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		5 THR A 146
LEU A 157
ASN A 117
VAL A  85
ILE A 183
 None
None
GDP  A 299 (-3.1A)
None
None
 1.36A 3bexE-1u0lA:
undetectable
3bexF-1u0lA:
1.6		 3bexE-1u0lA:
25.08
3bexF-1u0lA:
25.08
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 LEU A1255
THR A1287
ASN A1258
GLY A1299
ILE A1251
 None
 1.25A 3bexE-1ug3A:
2.4
3bexF-1ug3A:
2.4		 3bexE-1ug3A:
21.02
3bexF-1ug3A:
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 LEU A 163
THR A 161
GLY A  84
ARG A  83
ILE A 157
 None
 1.40A 3bexE-1uwwA:
undetectable
3bexF-1uwwA:
undetectable		 3bexE-1uwwA:
21.88
3bexF-1uwwA:
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 177
THR A 186
ASN A 140
THR A 133
ILE A 159
 None
 0.98A 3bexE-1vhnA:
undetectable
3bexF-1vhnA:
undetectable		 3bexE-1vhnA:
23.46
3bexF-1vhnA:
23.46
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		5 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.34A 3bexE-1wnbA:
undetectable
3bexF-1wnbA:
undetectable		 3bexE-1wnbA:
21.47
3bexF-1wnbA:
21.47
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.
1wuu GALACTOKINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 LEU A 139
THR A 344
GLY A 350
THR A 223
ILE A 222
 None
 1.33A 3bexE-1wuuA:
undetectable
3bexF-1wuuA:
undetectable		 3bexE-1wuuA:
20.49
3bexF-1wuuA:
20.49
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.28A 3bexE-1yguA:
undetectable
3bexF-1yguA:
undetectable		 3bexE-1yguA:
17.62
3bexF-1yguA:
17.62
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.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		5 LEU A  88
THR A  67
GLY A 116
ASP A 142
ILE A  41
 None
 1.23A 3bexE-1ytlA:
2.3
3bexF-1ytlA:
1.9		 3bexE-1ytlA:
21.18
3bexF-1ytlA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 THR A  88
ASN A 115
GLY A  71
ASP A  35
ILE A  32
 None
NAD  A2001 ( 2.8A)
None
None
None
 1.40A 3bexE-2d4vA:
undetectable
3bexF-2d4vA:
undetectable		 3bexE-2d4vA:
20.61
3bexF-2d4vA:
20.61
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.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  55
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.58A 3bexE-2f9tA:
24.1
3bexF-2f9tA:
24.1		 3bexE-2f9tA:
27.37
3bexF-2f9tA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 THR A 281
LEU A 277
THR A 257
VAL A 245
ILE A 271
 None
 1.36A 3bexE-2ggqA:
undetectable
3bexF-2ggqA:
undetectable		 3bexE-2ggqA:
22.08
3bexF-2ggqA:
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.22A 3bexE-2grvA:
undetectable
3bexF-2grvA:
undetectable		 3bexE-2grvA:
18.08
3bexF-2grvA:
18.08
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  28
THR A 327
GLY A  92
THR A  66
ILE A  65
 None
 1.21A 3bexE-2j6iA:
undetectable
3bexF-2j6iA:
undetectable		 3bexE-2j6iA:
20.32
3bexF-2j6iA:
20.32
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		7 ASN A   8
VAL A  41
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.47A 3bexE-2nrhA:
8.4
3bexF-2nrhA:
18.2		 3bexE-2nrhA:
23.79
3bexF-2nrhA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 668
LEU A 663
THR A 661
GLY A 690
ASP A 689
 None
 1.32A 3bexE-2obeA:
undetectable
3bexF-2obeA:
undetectable		 3bexE-2obeA:
13.62
3bexF-2obeA:
13.62
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.10A 3bexE-2qaeA:
undetectable
3bexF-2qaeA:
undetectable		 3bexE-2qaeA:
19.11
3bexF-2qaeA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 THR A 273
ASN A 294
VAL A 328
GLY A 326
ASP A 333
 None
 1.28A 3bexE-2qghA:
undetectable
3bexF-2qghA:
undetectable		 3bexE-2qghA:
20.37
3bexF-2qghA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 365
LEU A 280
VAL A 406
GLY A 417
ILE A 265
 None
 1.04A 3bexE-2r66A:
2.5
3bexF-2r66A:
2.2		 3bexE-2r66A:
19.56
3bexF-2r66A:
19.56
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LYS A1074
THR A1094
VAL A 817
GLY A 789
ILE A1098
 None
FMN  A2474 (-3.7A)
None
None
None
 1.41A 3bexE-2vdcA:
undetectable
3bexF-2vdcA:
undetectable		 3bexE-2vdcA:
10.12
3bexF-2vdcA:
10.12
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 THR A  95
THR A 362
ASN A 100
GLY A 365
ASP A 366
 None
 1.30A 3bexE-2xziA:
undetectable
3bexF-2xziA:
undetectable		 3bexE-2xziA:
21.99
3bexF-2xziA:
21.99
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.
2zuc DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Sulfolobus
solfataricus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 LYS A  27
LEU A  28
GLY A  52
THR A  57
ILE A  61
 None
 1.37A 3bexE-2zucA:
undetectable
3bexF-2zucA:
undetectable		 3bexE-2zucA:
21.65
3bexF-2zucA:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
 None
MYA  A   1 ( 4.6A)
None
None
None
 1.16A 3bexE-3b96A:
undetectable
3bexF-3b96A:
undetectable		 3bexE-3b96A:
18.65
3bexF-3b96A:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.04A 3bexE-3bexA:
41.1
3bexF-3bexA:
41.3		 3bexE-3bexA:
100.00
3bexF-3bexA:
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A  88
ASN A  46
VAL A  50
THR A 129
ILE A 127
 None
 1.33A 3bexE-3ciaA:
undetectable
3bexF-3ciaA:
undetectable		 3bexE-3ciaA:
17.47
3bexF-3ciaA:
17.47
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.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		5 THR A  43
LEU A 215
VAL A  39
GLY A 208
ILE A 108
 None
 1.29A 3bexE-3cn7A:
undetectable
3bexF-3cn7A:
undetectable		 3bexE-3cn7A:
21.59
3bexF-3cn7A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		5 THR A 392
LEU A 415
THR A 408
GLY A 397
ILE A 424
 None
 1.38A 3bexE-3dhuA:
undetectable
3bexF-3dhuA:
undetectable		 3bexE-3dhuA:
20.09
3bexF-3dhuA:
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  64
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.71A 3bexE-3djcA:
30.5
3bexF-3djcA:
30.5		 3bexE-3djcA:
36.69
3bexF-3djcA:
36.69
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.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		5 THR A 177
ASN A 180
GLY A 221
ASP A 218
ILE A  78
 GDP  A 900 (-3.8A)
None
GDP  A 900 ( 4.9A)
None
None
 1.24A 3bexE-3ec1A:
undetectable
3bexF-3ec1A:
undetectable		 3bexE-3ec1A:
23.24
3bexF-3ec1A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 THR A 224
LEU A 263
THR A 334
ARG A 258
ILE A 338
 None
 1.25A 3bexE-3fs1A:
undetectable
3bexF-3fs1A:
undetectable		 3bexE-3fs1A:
20.51
3bexF-3fs1A:
20.51
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.
3gfo COBALT IMPORT
ATP-BINDING PROTEIN
CBIO 1

(Clostridium
perfringens) 		PF00005
(ABC_tran) 		5 LEU A 126
THR A 129
GLY A 154
ASP A 103
ILE A 131
 None
 1.38A 3bexE-3gfoA:
undetectable
3bexF-3gfoA:
undetectable		 3bexE-3gfoA:
23.78
3bexF-3gfoA:
23.78
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.
3h84 ATPASE GET3

(Saccharomyces
cerevisiae) 		PF02374
(ArsA_ATPase) 		5 LEU A  44
THR A 328
ASN A  82
GLY A  79
ILE A  40
 None
 1.40A 3bexE-3h84A:
undetectable
3bexF-3h84A:
undetectable		 3bexE-3h84A:
20.97
3bexF-3h84A:
20.97
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 LEU A  21
THR A  52
VAL A 232
GLY A  24
ILE A  77
 None
 1.04A 3bexE-3l5oA:
undetectable
3bexF-3l5oA:
undetectable		 3bexE-3l5oA:
23.02
3bexF-3l5oA:
23.02
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 LEU A 273
THR A 300
GLY A 276
THR A 319
ILE A 317
 None
 1.33A 3bexE-3nwuA:
undetectable
3bexF-3nwuA:
undetectable		 3bexE-3nwuA:
23.97
3bexF-3nwuA:
23.97
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.
3oc9 UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Entamoeba
histolytica) 		PF01704
(UDPGP) 		5 LEU A  94
THR A  96
VAL A 182
GLY A  39
ILE A 104
 None
 1.05A 3bexE-3oc9A:
undetectable
3bexF-3oc9A:
undetectable		 3bexE-3oc9A:
21.92
3bexF-3oc9A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c WISKOTT-ALDRICH
SYNDROME PROTEIN
FAMILY MEMBER 1
PROBABLE PROTEIN
BRICK1
ABL INTERACTOR 2

(Homo sapiens;
Homo sapiens;
Homo sapiens) 		PF02205
(WH2)
no annotation
PF07815
(Abi_HHR) 		5 THR F  54
LYS F  51
LEU D  34
THR D  30
ILE E  22
 None
 1.14A 3bexE-3p8cF:
undetectable
3bexF-3p8cF:
undetectable		 3bexE-3p8cF:
20.16
3bexF-3p8cF:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 LEU A 121
THR A 138
ASN A 334
VAL A 143
ILE A 115
 None
 0.99A 3bexE-3qufA:
undetectable
3bexF-3qufA:
undetectable		 3bexE-3qufA:
20.43
3bexF-3qufA:
20.43
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 LEU A  67
THR A 138
VAL A  57
GLY A 112
ILE A  41
 None
 1.15A 3bexE-3uhjA:
undetectable
3bexF-3uhjA:
undetectable		 3bexE-3uhjA:
21.00
3bexF-3uhjA:
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 THR A 147
LEU A 143
THR A  91
ASN A 103
VAL A  82
 None
 1.13A 3bexE-3uxyA:
undetectable
3bexF-3uxyA:
undetectable		 3bexE-3uxyA:
22.46
3bexF-3uxyA:
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		5 THR A  53
VAL A 200
GLY A 185
ARG A 107
ILE A  54
 None
 1.30A 3bexE-3x05A:
undetectable
3bexF-3x05A:
undetectable		 3bexE-3x05A:
20.51
3bexF-3x05A:
20.51
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 648
LEU A 643
THR A 641
GLY A 670
ASP A 669
 None
 1.32A 3bexE-3zifA:
undetectable
3bexF-3zifA:
undetectable		 3bexE-3zifA:
13.75
3bexF-3zifA:
13.75
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.
4b8j IMPORTIN SUBUNIT
ALPHA-1A

(Oryza sativa) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 THR A 307
LEU A 289
VAL A 280
GLY A 284
ILE A 251
 None
 1.36A 3bexE-4b8jA:
undetectable
3bexF-4b8jA:
undetectable		 3bexE-4b8jA:
20.61
3bexF-4b8jA:
20.61
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 376
THR A 207
VAL A 302
THR A 201
ILE A 203
 None
 1.41A 3bexE-4cw4A:
undetectable
3bexF-4cw4A:
undetectable		 3bexE-4cw4A:
17.97
3bexF-4cw4A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2k DREP2

(Drosophila
melanogaster) 		PF02017
(CIDE-N) 		5 THR A  73
LEU A  75
GLY A  57
ASP A  56
ILE A  60
 None
 1.21A 3bexE-4d2kA:
undetectable
3bexF-4d2kA:
undetectable		 3bexE-4d2kA:
17.27
3bexF-4d2kA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		5 THR A 177
LEU A 180
THR A 214
THR A  98
ILE A  99
 None
 1.13A 3bexE-4d9rA:
undetectable
3bexF-4d9rA:
undetectable		 3bexE-4d9rA:
19.47
3bexF-4d9rA:
19.47
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 THR A   4
LEU A  20
VAL A   6
GLY A  13
THR A 483
 None
 1.27A 3bexE-4dgkA:
undetectable
3bexF-4dgkA:
undetectable		 3bexE-4dgkA:
18.70
3bexF-4dgkA:
18.70
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.
4etp KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 THR A 694
LEU A 688
THR A 681
VAL A 720
GLY A 657
 None
 1.32A 3bexE-4etpA:
undetectable
3bexF-4etpA:
undetectable		 3bexE-4etpA:
20.54
3bexF-4etpA:
20.54
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 THR A 156
LEU A 128
THR A 243
GLY A 204
ILE A 210
 None
 1.09A 3bexE-4fk8A:
3.6
3bexF-4fk8A:
2.9		 3bexE-4fk8A:
22.45
3bexF-4fk8A:
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LYS A 191
LEU A 231
THR A 203
VAL A 163
ILE A 176
 SO4  A 602 (-2.9A)
None
SO4  A 602 ( 3.2A)
None
None
 1.34A 3bexE-4ga6A:
undetectable
3bexF-4ga6A:
undetectable		 3bexE-4ga6A:
20.00
3bexF-4ga6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 LEU B 253
ASN B 250
VAL B 187
GLY B 184
ILE B 215
 None
 1.29A 3bexE-4i0wB:
undetectable
3bexF-4i0wB:
undetectable		 3bexE-4i0wB:
20.92
3bexF-4i0wB:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 LEU A 114
THR A 224
ASP A 140
THR A 126
ILE A 122
 None
 1.29A 3bexE-4idmA:
undetectable
3bexF-4idmA:
2.4		 3bexE-4idmA:
18.02
3bexF-4idmA:
18.02
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.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 THR A 224
LEU A 263
THR A 334
ARG A 258
ILE A 338
 None
 1.29A 3bexE-4iqrA:
undetectable
3bexF-4iqrA:
undetectable		 3bexE-4iqrA:
21.63
3bexF-4iqrA:
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 LEU A 535
THR A 515
VAL A 538
THR A 601
ILE A 546
 None
 1.32A 3bexE-4issA:
undetectable
3bexF-4issA:
undetectable		 3bexE-4issA:
17.51
3bexF-4issA:
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.28A 3bexE-4j57A:
undetectable
3bexF-4j57A:
undetectable		 3bexE-4j57A:
18.45
3bexF-4j57A:
18.45
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 LEU A 561
GLY A 571
ASP A 575
THR A 592
ILE A 609
 None
 1.28A 3bexE-4k0eA:
undetectable
3bexF-4k0eA:
undetectable		 3bexE-4k0eA:
13.57
3bexF-4k0eA:
13.57
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 LEU B 181
ASN B 380
GLY B 153
THR B 146
ILE B 167
 None
 1.19A 3bexE-4l27B:
undetectable
3bexF-4l27B:
undetectable		 3bexE-4l27B:
17.80
3bexF-4l27B:
17.80
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus;
Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB)
PF02502
(LacAB_rpiB) 		5 ASN A  88
VAL B 110
GLY B 107
ASP B  87
ILE B  69
 None
None
None
None
RBL  B 201 ( 4.7A)
 1.18A 3bexE-4lfnA:
undetectable
3bexF-4lfnA:
undetectable		 3bexE-4lfnA:
22.31
3bexF-4lfnA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 LEU A  92
THR A  44
VAL A  16
GLY A  28
ILE A  52
 None
 1.20A 3bexE-4m7gA:
undetectable
3bexF-4m7gA:
undetectable		 3bexE-4m7gA:
21.01
3bexF-4m7gA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 LEU A  24
THR A 116
VAL A 146
GLY A 144
ILE A 118
 None
RAR  A 200 (-4.4A)
None
None
None
 1.28A 3bexE-4m7vA:
undetectable
3bexF-4m7vA:
undetectable		 3bexE-4m7vA:
20.16
3bexF-4m7vA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8n PLEXINC1
INTRACELLULAR REGION
RAS-RELATED PROTEIN
RAP-1B

(Danio rerio;
Homo sapiens) 		PF08337
(Plexin_cytopl)
PF00071
(Ras) 		5 LYS E  16
THR E  35
ASN E 116
GLY E  12
ARG A 711
 AF3  E 202 ( 3.1A)
MG  E 200 (-2.7A)
GDP  E 201 (-3.2A)
AF3  E 202 (-3.5A)
GDP  E 201 ( 2.9A)
 1.40A 3bexE-4m8nE:
undetectable
3bexF-4m8nE:
undetectable		 3bexE-4m8nE:
21.59
3bexF-4m8nE:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9w ARA H 8 ALLERGEN

(Arachis
hypogaea) 		PF00407
(Bet_v_1) 		5 THR A 101
LEU A 115
GLY A 141
ARG A 144
ILE A  10
 None
 1.26A 3bexE-4m9wA:
undetectable
3bexF-4m9wA:
undetectable		 3bexE-4m9wA:
20.08
3bexF-4m9wA:
20.08
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 LEU A 233
ASN A 133
VAL A 174
GLY A 223
ILE A 147
 None
 1.03A 3bexE-4mx3A:
undetectable
3bexF-4mx3A:
undetectable		 3bexE-4mx3A:
22.66
3bexF-4mx3A:
22.66
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.34A 3bexE-4o5fA:
17.7
3bexF-4o5fA:
26.3		 3bexE-4o5fA:
24.82
3bexF-4o5fA:
24.82
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 THR A 175
ASN A 244
VAL A 221
GLY A 130
ILE A 258
 None
 1.38A 3bexE-4qgoA:
undetectable
3bexF-4qgoA:
undetectable		 3bexE-4qgoA:
18.55
3bexF-4qgoA:
18.55
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.
4r12 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Dictyostelium
purpureum) 		PF05450
(Nicastrin) 		5 THR A 481
THR A 261
VAL A 440
GLY A 347
ASP A 253
 None
 1.38A 3bexE-4r12A:
undetectable
3bexF-4r12A:
undetectable		 3bexE-4r12A:
17.59
3bexF-4r12A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 THR A  15
LEU A 517
THR A 137
GLY A 213
THR A 201
 FAD  A 700 (-3.8A)
None
None
None
None
 1.29A 3bexE-4udrA:
undetectable
3bexF-4udrA:
undetectable		 3bexE-4udrA:
19.74
3bexF-4udrA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.16A 3bexE-4w1wA:
2.1
3bexF-4w1wA:
2.1		 3bexE-4w1wA:
18.88
3bexF-4w1wA:
18.88
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.
4xcg THERMOSOME SUBUNIT
BETA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 THR B  51
LEU B  48
ASN B  72
GLY B 105
ASP B 104
 None
None
None
None
ADP  B 600 (-2.7A)
 1.29A 3bexE-4xcgB:
undetectable
3bexF-4xcgB:
undetectable		 3bexE-4xcgB:
18.78
3bexF-4xcgB:
18.78
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.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE

(Mycolicibacterium
smegmatis) 		PF01243
(Putative_PNPOx) 		5 THR A  20
LEU A  18
ASN A  67
THR A  99
ILE A 130
 None
 1.21A 3bexE-4zkyA:
undetectable
3bexF-4zkyA:
undetectable		 3bexE-4zkyA:
20.00
3bexF-4zkyA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE

(Mycolicibacterium
smegmatis) 		PF01243
(Putative_PNPOx) 		5 THR A  20
LEU A  18
THR A  50
THR A  99
ILE A 130
 None
 1.35A 3bexE-4zkyA:
undetectable
3bexF-4zkyA:
undetectable		 3bexE-4zkyA:
20.00
3bexF-4zkyA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 THR A 492
VAL A 484
ASP A 458
ARG A 457
ILE A 522
 None
 1.30A 3bexE-4zlgA:
undetectable
3bexF-4zlgA:
undetectable		 3bexE-4zlgA:
14.32
3bexF-4zlgA:
14.32
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.36A 3bexE-5b8hA:
26.8
3bexF-5b8hA:
26.8		 3bexE-5b8hA:
25.08
3bexF-5b8hA:
25.08
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 THR A 302
VAL A 290
GLY A 298
ASP A 294
ILE A 179
 None
 1.22A 3bexE-5czcA:
undetectable
3bexF-5czcA:
undetectable		 3bexE-5czcA:
22.44
3bexF-5czcA:
22.44
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.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 THR A 100
ASN A  76
GLY A 223
ASP A 226
ILE A 233
 None
 1.30A 3bexE-5dgoA:
undetectable
3bexF-5dgoA:
undetectable		 3bexE-5dgoA:
16.79
3bexF-5dgoA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A  24
THR A 369
GLY A 251
THR A 105
ILE A  14
 None
 1.34A 3bexE-5erbA:
undetectable
3bexF-5erbA:
undetectable		 3bexE-5erbA:
18.10
3bexF-5erbA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fod LEUCYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		no annotation 5 THR A 395
VAL A 571
GLY A 403
THR A 543
ILE A 545
 None
 1.41A 3bexE-5fodA:
undetectable
3bexF-5fodA:
undetectable		 3bexE-5fodA:
20.61
3bexF-5fodA:
20.61
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.11A 3bexE-5i5dA:
0.9
3bexF-5i5dA:
undetectable		 3bexE-5i5dA:
17.32
3bexF-5i5dA:
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.14A 3bexE-5i5hA:
1.5
3bexF-5i5hA:
undetectable		 3bexE-5i5hA:
19.29
3bexF-5i5hA:
19.29
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 515
VAL A 538
GLY A 543
THR A 601
ILE A 546
 None
 1.28A 3bexE-5i8iA:
1.5
3bexF-5i8iA:
undetectable		 3bexE-5i8iA:
8.89
3bexF-5i8iA:
8.89
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.
5iz3 PREDICTED PROTEIN

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 LEU B 144
THR B 194
GLY B 105
THR B 110
ILE B 111
 None
 1.36A 3bexE-5iz3B:
undetectable
3bexF-5iz3B:
undetectable		 3bexE-5iz3B:
22.87
3bexF-5iz3B:
22.87
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 LEU A 462
VAL A  57
GLY A 449
ASP A 445
ILE A  34
 None
 1.38A 3bexE-5kgnA:
2.3
3bexF-5kgnA:
undetectable		 3bexE-5kgnA:
20.04
3bexF-5kgnA:
20.04
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 THR A 687
LEU A 682
THR A 680
GLY A 709
ASP A 708
 None
 1.29A 3bexE-5ldnA:
undetectable
3bexF-5ldnA:
undetectable		 3bexE-5ldnA:
14.08
3bexF-5ldnA:
14.08
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 THR A 636
LEU A 617
VAL A 587
THR A 645
ILE A 644
 None
 0.94A 3bexE-5m59A:
undetectable
3bexF-5m59A:
undetectable		 3bexE-5m59A:
9.26
3bexF-5m59A:
9.26
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.
5ok4 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanothermobacter
marburgensis) 		no annotation 5 LEU A 123
THR A  40
VAL A  59
GLY A  47
ILE A  37
 None
 1.37A 3bexE-5ok4A:
undetectable
3bexF-5ok4A:
undetectable		 3bexE-5ok4A:
undetectable
3bexF-5ok4A:
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.
5u9m SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu)
PF00403
(HMA) 		5 LEU B  28
ASN B  30
GLY B  33
THR B  56
ILE B  57
 None
 1.34A 3bexE-5u9mB:
undetectable
3bexF-5u9mB:
undetectable		 3bexE-5u9mB:
22.86
3bexF-5u9mB:
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 THR A 429
LEU A 426
THR A 443
VAL A 356
GLY A 358
 None
 1.30A 3bexE-5vaeA:
undetectable
3bexF-5vaeA:
undetectable		 3bexE-5vaeA:
undetectable
3bexF-5vaeA:
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 THR A  81
LEU A  90
VAL A  30
THR A  99
ILE A  94
 None
 1.35A 3bexE-5w57A:
undetectable
3bexF-5w57A:
undetectable		 3bexE-5w57A:
22.26
3bexF-5w57A:
22.26
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 THR B  80
LEU B  34
GLY A 338
ASP A 339
ILE B 542
 None
 1.20A 3bexE-5y58B:
undetectable
3bexF-5y58B:
undetectable		 3bexE-5y58B:
undetectable
3bexF-5y58B:
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 LEU A 134
GLY A  61
ASP A  60
ARG A 173
ILE A 144
 None
 1.33A 3bexE-6c0dA:
undetectable
3bexF-6c0dA:
undetectable		 3bexE-6c0dA:
undetectable
3bexF-6c0dA:
undetectable