SIMILAR PATTERNS OF AMINO ACIDS FOR 3BEX_E_PAUE248

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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 537
GLY A 487
ASP A 489
ILE A 530
LEU A 483
 None
 1.45A 3bexE-1gq2A:
2.4
3bexF-1gq2A:
2.4		 3bexE-1gq2A:
18.38
3bexF-1gq2A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 ASN B 272
GLY B 178
ILE B 220
LYS B 181
LEU B 180
 None
 1.37A 3bexE-1gydB:
undetectable
3bexF-1gydB:
undetectable		 3bexE-1gydB:
21.60
3bexF-1gydB:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASN A 204
GLY A 166
ASP A 170
LEU A 200
THR A 141
 None
 1.38A 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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 ASN A 212
GLY A 154
THR A 197
ILE A 195
THR A 178
 None
 1.37A 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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 5 VAL B 322
THR B 369
ILE B 366
LEU B 357
THR B 361
 None
 1.30A 3bexE-1p3wB:
undetectable
3bexF-1p3wB:
undetectable		 3bexE-1p3wB:
22.82
3bexF-1p3wB:
22.82
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 5 VAL B 236
GLY B 220
THR B 246
LEU B 267
THR B 223
 None
 1.23A 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.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		5 GLY A 105
ARG A 134
ILE A 101
LEU A 108
THR A 130
 None
 1.39A 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 GLY A 142
ASP A 141
THR A 165
LEU A 216
THR A 168
 None
 1.02A 3bexE-1smlA:
0.7
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 GLY A  84
ARG A  83
ILE A 157
LEU A 163
THR A 161
 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.
1v6c ALKALINE SERINE
PROTEASE

(Pseudoalteromonas
sp. AS-11) 		PF00082
(Peptidase_S8)
PF02225
(PA) 		5 ASN A 356
VAL A 354
GLY A 305
ILE A 329
THR A 295
 None
 1.45A 3bexE-1v6cA:
undetectable
3bexF-1v6cA:
undetectable		 3bexE-1v6cA:
19.86
3bexF-1v6cA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 ASN A 140
THR A 133
ILE A 159
LEU A 177
THR A 186
 None
 1.00A 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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 106
THR A 109
ILE A 271
LEU A 239
THR A 243
 None
 1.42A 3bexE-1vkzA:
undetectable
3bexF-1vkzA:
undetectable		 3bexE-1vkzA:
21.77
3bexF-1vkzA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE

(Escherichia
coli) 		PF00171
(Aldedh) 		5 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 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 GLY A 350
THR A 223
ILE A 222
LEU A 139
THR A 344
 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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 ASN A 122
GLY A  80
ASP A  44
ILE A  41
THR A  95
 NAP  A1001 (-2.8A)
None
None
None
None
 1.44A 3bexE-1xkdA:
undetectable
3bexF-1xkdA:
undetectable		 3bexE-1xkdA:
22.68
3bexF-1xkdA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 GLY A 116
ASP A 142
ILE A  41
LEU A  88
THR A  67
 None
 1.22A 3bexE-1ytlA:
2.3
3bexF-1ytlA:
1.8		 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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 VAL A 227
GLY A 230
ARG A 231
LYS A 202
LEU A 199
 None
 1.47A 3bexE-1z05A:
8.6
3bexF-1z05A:
9.6		 3bexE-1z05A:
22.05
3bexF-1z05A:
22.05
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 VAL A 227
GLY A 230
ARG A 231
LYS A 202
LEU A 203
 None
 1.41A 3bexE-1z05A:
8.6
3bexF-1z05A:
9.6		 3bexE-1z05A:
22.05
3bexF-1z05A:
22.05
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 ASN A 115
GLY A  71
ASP A  35
ILE A  32
THR A  88
 NAD  A2001 ( 2.8A)
None
None
None
None
 1.39A 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
 0.56A 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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 VAL A 254
GLY A 234
THR A 249
ILE A 244
LEU A 264
 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 GLY A  92
THR A  66
ILE A  65
LEU A  28
THR A 327
 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
 0.46A 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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 THR A 342
ILE A 339
LYS A 204
LEU A 205
THR A 372
 None
 1.09A 3bexE-2punA:
undetectable
3bexF-2punA:
undetectable		 3bexE-2punA:
23.00
3bexF-2punA:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 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 ASN A 294
VAL A 328
GLY A 326
ASP A 333
THR A 273
 None
 1.26A 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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 GLY A  40
ASP A  38
THR A 240
ILE A 329
THR A 235
 None
 1.39A 3bexE-2rmpA:
undetectable
3bexF-2rmpA:
undetectable		 3bexE-2rmpA:
20.96
3bexF-2rmpA:
20.96
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)
 0.05A 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 ASN A  46
VAL A  50
THR A 129
ILE A 127
LEU A  88
 None
 1.33A 3bexE-3ciaA:
undetectable
3bexF-3ciaA:
undetectable		 3bexE-3ciaA:
17.47
3bexF-3ciaA:
17.47
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
 0.70A 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.
3gfo COBALT IMPORT
ATP-BINDING PROTEIN
CBIO 1

(Clostridium
perfringens) 		PF00005
(ABC_tran) 		5 GLY A 154
ASP A 103
ILE A 131
LEU A 126
THR A 129
 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 ASN A  82
GLY A  79
ILE A  40
LEU A  44
THR A 328
 None
 1.41A 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.
3hzh CHEMOTAXIS RESPONSE
REGULATOR (CHEY-3)
CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi;
Borreliella
burgdorferi) 		PF00072
(Response_reg)
PF13690
(CheX) 		5 VAL B 106
THR A  81
ILE A  80
LYS A 111
LEU A 114
 None
BFD  A  79 (-3.9A)
BFD  A  79 ( 3.9A)
None
None
 1.41A 3bexE-3hzhB:
undetectable
3bexF-3hzhB:
undetectable		 3bexE-3hzhB:
23.97
3bexF-3hzhB:
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 VAL A 232
GLY A  24
ILE A  77
LEU A  21
THR A  52
 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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		5 VAL A  89
GLY A   9
ILE A  61
LEU A  26
THR A  65
 None
 1.43A 3bexE-3mcuA:
undetectable
3bexF-3mcuA:
undetectable		 3bexE-3mcuA:
23.51
3bexF-3mcuA:
23.51
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 GLY A 276
THR A 319
ILE A 317
LEU A 273
THR A 300
 None
 1.34A 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 VAL A 182
GLY A  39
ILE A 104
LEU A  94
THR A  96
 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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 ASN A 334
VAL A 143
ILE A 115
LEU A 121
THR A 138
 None
 1.00A 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 VAL A  57
GLY A 112
ILE A  41
LEU A  67
THR A 138
 None
 1.16A 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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		5 VAL A 200
GLY A 185
ARG A 107
ILE A  54
THR A  53
 None
 1.31A 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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 302
THR A 201
ILE A 203
LEU A 376
THR A 207
 None
 1.42A 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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 ASN B 250
VAL B 187
GLY B 184
ILE B 215
LEU B 253
 None
 1.30A 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 ASP A 140
THR A 126
ILE A 122
LEU A 114
THR A 224
 None
 1.28A 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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 VAL A 538
THR A 601
ILE A 546
LEU A 535
THR A 515
 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 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 ASN A 302
GLY A 298
ILE A 244
LYS A 274
LEU A 273
 None
 1.41A 3bexE-4l4yA:
undetectable
3bexF-4l4yA:
undetectable		 3bexE-4l4yA:
19.66
3bexF-4l4yA:
19.66
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.
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)
 1.19A 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 VAL A  16
GLY A  28
ILE A  52
LEU A  92
THR A  44
 None
 1.21A 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 VAL A 146
GLY A 144
ILE A 118
LEU A  24
THR A 116
 None
None
None
None
RAR  A 200 (-4.4A)
 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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ASN A 133
VAL A 174
GLY A 223
ILE A 147
LEU A 233
 None
 1.05A 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.
4n13 PHOSPHATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Borreliella
burgdorferi) 		PF12849
(PBP_like_2) 		5 ASN A 166
VAL A 169
GLY A 181
ILE A 139
LEU A  85
 SO4  A 301 (-3.6A)
None
None
None
None
 1.44A 3bexE-4n13A:
undetectable
3bexF-4n13A:
undetectable		 3bexE-4n13A:
21.05
3bexF-4n13A:
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.
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 VAL A 370
GLY A 375
THR A 423
ILE A 419
LEU A 348
 None
 1.17A 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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 VAL A 484
ASP A 458
ARG A 457
ILE A 522
THR A 492
 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)
 0.35A 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 VAL A 290
GLY A 298
ASP A 294
ILE A 179
THR A 302
 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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ASN A 199
GLY A 226
THR A 295
ILE A 299
LEU A 274
 None
EDO  A1606 ( 4.1A)
None
None
None
 1.41A 3bexE-5dotA:
undetectable
3bexF-5dotA:
undetectable		 3bexE-5dotA:
10.28
3bexF-5dotA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 251
THR A 105
ILE A  14
LEU A  24
THR A 369
 None
 1.33A 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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 680
VAL A 708
ARG A 160
THR A  55
THR A 162
 None
 1.45A 3bexE-5fp1A:
undetectable
3bexF-5fp1A:
undetectable		 3bexE-5fp1A:
17.50
3bexF-5fp1A:
17.50
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 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 VAL A 471
GLY A 452
ARG A 451
THR A 302
THR A 402
 None
 1.13A 3bexE-5i5hA:
1.3
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 VAL A 538
GLY A 543
THR A 601
ILE A 546
THR A 515
 None
 1.27A 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 GLY B 105
THR B 110
ILE B 111
LEU B 144
THR B 194
 None
 1.37A 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.
5ok4 5,10-METHENYLTETRAHY
DROMETHANOPTERIN
HYDROGENASE

(Methanothermobacter
marburgensis) 		no annotation 5 VAL A  59
GLY A  47
ILE A  37
LEU A 123
THR A  40
 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 ASN B  30
GLY B  33
THR B  56
ILE B  57
LEU B  28
 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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		5 THR A 580
ILE A 577
LYS A 666
LEU A 667
THR A 573
 None
 1.41A 3bexE-5xsyA:
undetectable
3bexF-5xsyA:
undetectable		 3bexE-5xsyA:
9.52
3bexF-5xsyA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  61
ASP A  60
ARG A 173
ILE A 144
LEU A 134
 None
 1.32A 3bexE-6c0dA:
undetectable
3bexF-6c0dA:
undetectable		 3bexE-6c0dA:
undetectable
3bexF-6c0dA:
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.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 None
 1.45A 3bexE-6c43A:
undetectable
3bexF-6c43A:
undetectable		 3bexE-6c43A:
undetectable
3bexF-6c43A:
undetectable