SIMILAR PATTERNS OF AMINO ACIDS FOR 1P33_C_MTXC353_1

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.
1e59 PHOSPHOGLYCERATE
MUTASE

(Escherichia
coli) 		PF00300
(His_Phos_1) 		5 ASP A 195
TYR A 193
LEU A   7
LEU A   5
MET A 172
 None
 1.48A 1p33C-1e59A:
undetectable		 1p33C-1e59A:
24.26
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		5 ASP A  52
LEU A 150
LEU A 165
PRO A 171
MET A 174
 None
 1.34A 1p33C-1fmlA:
undetectable		 1p33C-1fmlA:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 705
TYR A 665
LEU A 685
LEU A 674
MET A 759
 None
 1.34A 1p33C-1h17A:
undetectable		 1p33C-1h17A:
17.79
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 SER A 245
PHE A 275
LEU A 234
LEU A 448
LEU A 454
 None
 1.34A 1p33C-1loxA:
undetectable		 1p33C-1loxA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		10 ARG A  22
SER A 103
ASP A 169
LEU A 176
TYR A 182
LEU A 214
LEU A 217
PRO A 218
MET A 221
TYR A 229
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
MTX  A1278 (-4.4A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
 0.58A 1p33C-1mxfA:
41.1		 1p33C-1mxfA:
49.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 SER A 385
PHE A 345
LEU A 321
LEU A 390
LEU A  32
 2OS  A 602 ( 3.9A)
None
None
None
None
 1.40A 1p33C-1t3iA:
2.9		 1p33C-1t3iA:
22.88
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 ASP A 236
LEU A 177
LEU A 105
PRO A 107
TYR A 306
 None
 1.50A 1p33C-1v5bA:
3.6		 1p33C-1v5bA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 SER A 145
PHE A 149
LEU A  79
LEU A 160
TYR A  24
 None
 1.33A 1p33C-1zl9A:
undetectable		 1p33C-1zl9A:
19.19
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 SER A 208
LEU A 148
LEU A 143
LEU A 173
MET A 199
 None
 1.08A 1p33C-1zuwA:
3.6		 1p33C-1zuwA:
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 PHE A  38
TYR A  19
LEU A 302
LEU A  29
PRO A  36
 None
 1.28A 1p33C-2ejwA:
2.8		 1p33C-2ejwA:
23.67
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		5 LEU A  53
TYR A  52
TYR A  56
LEU A 216
LEU A 302
 None
 1.49A 1p33C-2gfpA:
undetectable		 1p33C-2gfpA:
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.
2h36 HYPOTHETICAL PROTEIN
SIFV0014

(Sulfolobus
islandicus
filamentous
virus) 		PF07118
(DUF1374) 		5 PHE X  30
LEU X  87
TYR X  77
TYR X  85
LEU X  22
 None
 1.48A 1p33C-2h36X:
undetectable		 1p33C-2h36X:
16.60
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		5 SER A 195
PHE A 194
LEU A 118
LEU A 158
LEU A 155
 None
 1.28A 1p33C-2irwA:
24.4		 1p33C-2irwA:
23.25
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.
2jzy TRANSCRIPTIONAL
REGULATORY PROTEIN
PCOR

(Klebsiella
pneumoniae) 		PF00486
(Trans_reg_C) 		5 SER A  64
ASP A  70
LEU A  40
LEU A  48
PRO A  49
 None
 1.48A 1p33C-2jzyA:
undetectable		 1p33C-2jzyA:
18.09
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.
2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		5 PHE B   8
ASP B  77
LEU B  64
TYR B  68
LEU B  16
 None
 1.38A 1p33C-2k2qB:
undetectable		 1p33C-2k2qB:
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.
2la3 UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06042
(NTP_transf_6) 		5 SER A  42
PHE A  46
LEU A  12
LEU A 150
LEU A  51
 None
 1.41A 1p33C-2la3A:
undetectable		 1p33C-2la3A:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		9 ARG A  17
SER A 111
PHE A 113
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 226
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
FE1  A1301 ( 4.9A)
None
 0.46A 1p33C-2qhxA:
44.3		 1p33C-2qhxA:
71.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		6 SER A 111
PHE A 113
LEU A 188
TYR A 191
TYR A 194
LEU A 229
 FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
None
 0.89A 1p33C-2qhxA:
44.3		 1p33C-2qhxA:
71.04
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.
2vg8 HYDROQUINONE
GLUCOSYLTRANSFERASE

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 PHE A 162
LEU A 154
LEU A 197
LEU A 183
MET A 391
 None
 1.40A 1p33C-2vg8A:
5.4		 1p33C-2vg8A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 ASP A 195
LEU A 165
LEU A 167
PRO A 168
TYR A 190
 None
 1.47A 1p33C-2wn4A:
undetectable		 1p33C-2wn4A:
20.17
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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9

(Schizosaccharomyces
pombe) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		5 ASP A 267
TYR A 260
TYR A 263
LEU A 295
LEU A 277
 None
 1.48A 1p33C-2xpiA:
undetectable		 1p33C-2xpiA:
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 TYR A 308
LEU A 249
LEU A  54
PRO A  50
TYR A 290
 None
 1.30A 1p33C-2zc0A:
undetectable		 1p33C-2zc0A:
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		5 SER A  93
PHE A  94
TYR A  81
LEU A 130
LEU A 151
 None
 1.33A 1p33C-3alfA:
3.3		 1p33C-3alfA:
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 SER A 130
PHE A 132
LEU A  34
TYR A 310
LEU A  20
 None
 1.36A 1p33C-3e82A:
5.4		 1p33C-3e82A:
22.63
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.
3e9l PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		5 SER A1928
PHE A1772
TYR A1930
LEU A1891
PRO A1812
 CL  A2018 ( 4.8A)
None
None
None
None
 1.45A 1p33C-3e9lA:
undetectable		 1p33C-3e9lA:
21.19
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.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		5 SER A1443
LEU A1290
LEU A1406
LEU A1431
MET A1456
 None
 1.25A 1p33C-3eujA:
undetectable		 1p33C-3eujA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 236
TYR A 237
LEU A 107
LEU A 108
MET A  40
 None
 1.46A 1p33C-3fiiA:
undetectable		 1p33C-3fiiA:
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.
3h4r EXODEOXYRIBONUCLEASE
8

(Escherichia
coli) 		PF12684
(DUF3799) 		5 ASP A 846
LEU A 843
LEU A 630
PRO A 626
TYR A 629
 None
 1.50A 1p33C-3h4rA:
undetectable		 1p33C-3h4rA:
22.70
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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 SER A  76
PHE A 112
LEU A 102
LEU A  90
LEU A  88
 None
 1.42A 1p33C-3htvA:
undetectable		 1p33C-3htvA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 SER A 252
PHE A 256
LEU A  20
LEU A 228
LEU A 262
 None
 1.41A 1p33C-3hzuA:
undetectable		 1p33C-3hzuA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 SER A 375
PHE A 361
LEU A 402
LEU A 394
MET A 387
 None
 1.39A 1p33C-3k28A:
3.1		 1p33C-3k28A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 SER A  51
PHE A  39
LEU A  57
LEU A  14
LEU A 202
 None
 1.47A 1p33C-3ka7A:
2.8		 1p33C-3ka7A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 SER A 119
PHE A 121
LEU A  23
TYR A 302
LEU A   9
 None
 1.44A 1p33C-3kuxA:
8.4		 1p33C-3kuxA:
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 PHE B 311
LEU B 273
TYR B 317
LEU B 268
LEU B 189
 None
 1.44A 1p33C-3p8cB:
undetectable		 1p33C-3p8cB:
13.46
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.
3pp8 GLYOXYLATE/HYDROXYPY
RUVATE REDUCTASE A

(Salmonella
enterica) 		PF02826
(2-Hacid_dh_C) 		5 SER A 254
PHE A 253
LEU A 223
LEU A 225
TYR A 102
 None
 1.25A 1p33C-3pp8A:
7.0		 1p33C-3pp8A:
23.87
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.
3u1h 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus sp.
(in: Bacteria)) 		PF00180
(Iso_dh) 		5 ASP A 236
LEU A 177
LEU A 105
PRO A 107
TYR A 306
 None
 1.46A 1p33C-3u1hA:
undetectable		 1p33C-3u1hA:
24.37
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 LEU A 123
TYR A 119
LEU A  85
LEU A 471
TYR A  93
 None
 1.35A 1p33C-3u5uA:
undetectable		 1p33C-3u5uA:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 SER N 300
PHE N 296
LEU N 309
LEU N 378
MET N 330
 None
 1.34A 1p33C-4heaN:
undetectable		 1p33C-4heaN:
24.08
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.
4i5v 5',5'''-P-1,P-4-TETR
APHOSPHATE
PHOSPHORYLASE 2

(Saccharomyces
cerevisiae) 		PF09830
(ATP_transf) 		5 SER A 113
LEU A 103
TYR A  87
LEU A 253
LEU A 220
 None
 1.28A 1p33C-4i5vA:
undetectable		 1p33C-4i5vA:
19.13
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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		5 SER A 344
PHE A 316
LEU A 262
LEU A 231
LEU A 357
 None
 1.37A 1p33C-4i96A:
undetectable		 1p33C-4i96A:
23.63
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.
4jlr MOTAVIZUMAB FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 TYR H  59
LEU H  20
LEU H  18
MET H  82
TYR H  90
 None
 1.13A 1p33C-4jlrH:
undetectable		 1p33C-4jlrH:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k26 CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Mus musculus) 		PF00106
(adh_short) 		5 SER A 195
PHE A 194
LEU A 118
LEU A 158
LEU A 155
 None
 1.35A 1p33C-4k26A:
24.4		 1p33C-4k26A:
22.15
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 PHE A 160
TYR A 159
LEU A 492
LEU A 178
PRO A 177
 None
 1.47A 1p33C-4m8jA:
undetectable		 1p33C-4m8jA:
19.88
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.
4n6b SERINE
ACETYLTRANSFERASE
APOENZYME

(Glycine max) 		PF00132
(Hexapep)
PF06426
(SATase_N) 		5 SER A  83
PHE A  82
LEU A  60
LEU A 113
LEU A  96
 None
 1.38A 1p33C-4n6bA:
undetectable		 1p33C-4n6bA:
24.84
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.
4nhy 2-OXOGLUTARATE AND
IRON-DEPENDENT
OXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 SER A 350
PHE A 348
LEU A 299
LEU A 341
LEU A 439
 None
 1.19A 1p33C-4nhyA:
undetectable		 1p33C-4nhyA:
18.48
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.
4nuf MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
NUCLEAR RECEPTOR
SUBFAMILY 0 GROUP B
MEMBER 2 CHIMERIC
CONSTRUCT

(Escherichia
coli;
Mus musculus) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 SER A1161
PHE A1159
LEU A1101
LEU A1202
LEU A1221
 None
 1.48A 1p33C-4nufA:
undetectable		 1p33C-4nufA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 SER A 308
LEU A 412
LEU A 434
PRO A 279
MET A 432
 None
 1.45A 1p33C-4q6pA:
undetectable		 1p33C-4q6pA:
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.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ARG A 273
SER A 199
PHE A 197
LEU A 256
LEU A 280
 None
 1.47A 1p33C-4r1zA:
undetectable		 1p33C-4r1zA:
20.90
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.
4s3n 2'-5'-OLIGOADENYLATE
SYNTHASE 3

(Homo sapiens) 		PF10421
(OAS1_C) 		5 ARG A 331
PHE A 329
LEU A 256
LEU A 202
LEU A 248
 None
 1.44A 1p33C-4s3nA:
undetectable		 1p33C-4s3nA:
24.48
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		5 ARG A  22
LEU A  38
LEU A 161
LEU A 183
MET A 202
 None
 1.40A 1p33C-4uw2A:
undetectable		 1p33C-4uw2A:
15.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		8 ARG A  14
SER A  95
PHE A  97
ASP A 161
TYR A 174
LEU A 209
PRO A 210
MET A 213
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
 0.53A 1p33C-4wcdA:
41.5		 1p33C-4wcdA:
50.52
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.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		5 SER A 329
LEU A 246
LEU A  26
LEU A  22
PRO A  19
 None
 1.23A 1p33C-4whmA:
7.4		 1p33C-4whmA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		5 ARG A1124
TYR A1185
LEU A1557
LEU A1551
TYR A1614
 None
 1.44A 1p33C-4ziuA:
undetectable		 1p33C-4ziuA:
19.68
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 SER B 888
LEU B 687
LEU B 863
LEU B 960
TYR B 524
 None
 1.49A 1p33C-4zktB:
undetectable		 1p33C-4zktB:
12.44
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.
5bnn CAPSID PROTEIN VP1
CAPSID PROTEIN VP3

(Enterovirus D) 		PF00073
(Rhv) 		5 ARG A 284
PHE C  82
LEU C 131
LEU C  86
MET C  53
 None
 1.39A 1p33C-5bnnA:
undetectable		 1p33C-5bnnA:
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 SER A 246
LEU A 355
TYR A 389
LEU A 371
LEU A 347
 None
 1.27A 1p33C-5czzA:
undetectable		 1p33C-5czzA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 SER A 584
PHE A  65
LEU A  53
LEU A 549
LEU A 604
 None
None
None
None
NAG  A1606 ( 4.6A)
 1.29A 1p33C-5fkcA:
undetectable		 1p33C-5fkcA:
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.
5hfi UNCHARACTERIZED
PROTEIN, CYTOSOLIC
DISULFIDE REDUCTASE
DSBM

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 PHE A 206
LEU A 191
TYR A 196
LEU A  33
LEU A 211
 PHE  A 206 ( 1.3A)
LEU  A 191 ( 0.6A)
TYR  A 196 ( 1.3A)
LEU  A  33 ( 0.6A)
LEU  A 211 ( 0.6A)
 1.29A 1p33C-5hfiA:
undetectable		 1p33C-5hfiA:
22.92
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 LEU A 393
TYR A 396
TYR A 345
LEU A 289
LEU A 285
 None
 1.15A 1p33C-5j5uA:
undetectable		 1p33C-5j5uA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A  84
SER A  86
PHE A 133
TYR A 296
PRO A 136
 None
 1.50A 1p33C-5kiaA:
7.9		 1p33C-5kiaA:
20.28
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 SER A 285
LEU A 194
LEU A 197
PRO A 279
TYR A 185
 None
 1.37A 1p33C-5l01A:
undetectable		 1p33C-5l01A:
21.70
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.
5lfn CHONDROADHERIN

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 PHE A  95
LEU A  66
LEU A  58
LEU A  56
MET A  74
 None
 1.29A 1p33C-5lfnA:
undetectable		 1p33C-5lfnA:
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ARG A  18
LEU A 388
TYR A 387
LEU A 404
LEU A 276
 None
 1.45A 1p33C-5medA:
undetectable		 1p33C-5medA:
17.12
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 LEU A 458
TYR A 455
LEU A  37
LEU A 109
MET A 140
 None
 1.44A 1p33C-5muxA:
undetectable		 1p33C-5muxA:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 ARG A  31
SER A 105
PHE A 107
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.41A 1p33C-5tgdA:
31.3		 1p33C-5tgdA:
31.51
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		5 SER A 494
PHE A 495
LEU A 391
LEU A 616
LEU A 745
 None
 1.43A 1p33C-5tj7A:
undetectable		 1p33C-5tj7A:
18.04
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 SER A1077
ASP A1172
LEU A1115
PRO A1114
TYR A1549
 None
 1.47A 1p33C-5u1sA:
2.0		 1p33C-5u1sA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7h CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Paenibacillus
sp. 598K) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 SER A 140
ASP A 614
LEU A 612
TYR A 146
LEU A  86
 None
 1.29A 1p33C-5x7hA:
2.2		 1p33C-5x7hA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxu RIBOSOMAL PROTEIN
US5
RIBOSOMAL PROTEIN
US8

(Toxoplasma
gondii) 		PF00333
(Ribosomal_S5)
PF00410
(Ribosomal_S8)
PF03719
(Ribosomal_S5_C) 		5 SER C 167
LEU W  93
LEU W  94
PRO W  95
TYR W 128
 U  21092 ( 3.6A)
None
None
None
U  21094 ( 4.8A)
 1.36A 1p33C-5xxuC:
undetectable		 1p33C-5xxuC:
22.62
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 ARG A 273
SER A 199
PHE A 197
LEU A 256
LEU A 280
 None
None
ACT  A 603 (-4.0A)
None
None
 1.48A 1p33C-6b82A:
undetectable		 1p33C-6b82A:
14.76