SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_E_CLME221_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
LEU A 116
VAL A 143
VAL A 410
 None
 1.36A 3u9fE-1auxA:
0.0		 3u9fE-1auxA:
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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.34A 3u9fE-1auxA:
0.0		 3u9fE-1auxA:
19.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cia CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		5 THR A  94
PHE A 103
PHE A 135
LEU A 160
VAL A 162
 None
 0.51A 3u9fE-1ciaA:
31.7		 3u9fE-1ciaA:
44.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dp2 RHODANESE

(Bos taurus) 		PF00581
(Rhodanese) 		5 THR A 141
TYR A  47
LEU A  15
VAL A  96
VAL A  19
 None
 1.46A 3u9fE-1dp2A:
0.0		 3u9fE-1dp2A:
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A  33
SER A  51
LEU A  70
VAL A  66
VAL A  53
 None
 1.44A 3u9fE-1fcpA:
0.0		 3u9fE-1fcpA:
15.45
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.
1hdf SPHERULIN 3A

(Physarum
polycephalum) 		PF08964
(Crystall_3) 		5 THR A  56
LEU A  17
VAL A  47
PHE A  37
VAL A  30
 None
 1.37A 3u9fE-1hdfA:
undetectable		 3u9fE-1hdfA:
18.69
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.
1hw2 FATTY ACID
METABOLISM REGULATOR
PROTEIN

(Escherichia
coli) 		PF00392
(GntR)
PF07840
(FadR_C) 		5 PHE A  25
SER A  19
LEU A  48
VAL A  43
VAL A  51
 None
 1.28A 3u9fE-1hw2A:
0.0		 3u9fE-1hw2A:
21.79
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.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		5 THR A 154
PHE A 175
LEU A 100
VAL A  96
PHE A  36
 None
 1.28A 3u9fE-1kr1A:
0.0		 3u9fE-1kr1A:
18.51
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 PHE A 252
LEU A 461
VAL A 464
PHE A 472
VAL A 458
 None
 1.38A 3u9fE-1kwgA:
0.0		 3u9fE-1kwgA:
15.04
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 265
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.22A 3u9fE-1mdfA:
0.0		 3u9fE-1mdfA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 SER A 291
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.47A 3u9fE-1mdfA:
0.0		 3u9fE-1mdfA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A  65
PHE A  11
LEU A 106
VAL A  42
VAL A  99
 None
 1.21A 3u9fE-1ms8A:
undetectable		 3u9fE-1ms8A:
15.50
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A  66
PHE A  11
LEU A 107
VAL A  43
VAL A 100
 None
 1.16A 3u9fE-1mz5A:
undetectable		 3u9fE-1mz5A:
17.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		10 THR A  93
PHE A 102
SER A 104
TYR A 133
PHE A 134
SER A 146
LEU A 158
VAL A 160
PHE A 166
VAL A 170
 None
 0.55A 3u9fE-1pd5A:
33.9		 3u9fE-1pd5A:
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 SER A 145
LEU A 151
VAL A 195
PHE A 111
VAL A 143
 None
 1.07A 3u9fE-1pk6A:
undetectable		 3u9fE-1pk6A:
18.54
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.
1sxl SEX-LETHAL PROTEIN
PROTEIN

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		5 SER A  84
LEU A  87
VAL A  60
PHE A  34
VAL A  78
 None
 1.46A 3u9fE-1sxlA:
undetectable		 3u9fE-1sxlA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmm HYPOTHETICAL UPF0310
PROTEIN PH1033

(Pyrococcus
horikoshii) 		PF01878
(EVE) 		5 THR A  67
SER A  68
LEU A  32
VAL A  24
VAL A  35
 None
 1.48A 3u9fE-1wmmA:
undetectable		 3u9fE-1wmmA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyr RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 6

(Homo sapiens) 		PF00307
(CH) 		5 PHE A 100
PHE A  89
SER A  38
LEU A  15
VAL A  44
 None
 1.29A 3u9fE-1wyrA:
undetectable		 3u9fE-1wyrA:
19.70
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.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		5 PHE A  81
LEU A 140
VAL A 143
PHE A 282
VAL A 331
 None
 1.34A 3u9fE-2a1xA:
undetectable		 3u9fE-2a1xA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag8 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Neisseria
meningitidis) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 THR A 148
LEU A  19
VAL A   3
PHE A   5
VAL A  15
 None
 1.36A 3u9fE-2ag8A:
undetectable		 3u9fE-2ag8A:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9r SPHINGOMYELINASE D 1

(Loxosceles
laeta) 		no annotation 5 THR A  74
PHE A  85
LEU A  90
VAL A  35
PHE A  63
 None
 1.25A 3u9fE-2f9rA:
undetectable		 3u9fE-2f9rA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 SER A  41
LEU A  10
VAL A  82
PHE A 159
VAL A  22
 None
 1.41A 3u9fE-2fg5A:
undetectable		 3u9fE-2fg5A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  26
PHE A 350
SER A  28
VAL A 145
VAL A 104
 PE4  A4124 ( 3.7A)
PE4  A4124 (-4.2A)
None
None
None
 1.45A 3u9fE-2gouA:
undetectable		 3u9fE-2gouA:
19.09
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 PHE A 495
SER A 114
LEU A 586
VAL A 580
VAL A 590
 None
 1.40A 3u9fE-2hpiA:
undetectable		 3u9fE-2hpiA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 THR A 306
SER A 260
LEU A  32
VAL A  35
VAL A 191
 None
 1.49A 3u9fE-2q1yA:
undetectable		 3u9fE-2q1yA:
18.92
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		5 SER A 496
LEU A 522
VAL A 515
PHE A 501
VAL A 557
 None
 1.27A 3u9fE-2vn7A:
undetectable		 3u9fE-2vn7A:
14.50
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 THR A 303
PHE A 300
PHE A 306
LEU A  53
VAL A  43
 None
 1.08A 3u9fE-2wk2A:
undetectable		 3u9fE-2wk2A:
15.17
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.
2x3h K5 LYASE

(Escherichia
virus K1-5) 		no annotation 5 SER A  66
LEU A 104
VAL A 136
PHE A 138
VAL A 123
 None
 1.11A 3u9fE-2x3hA:
undetectable		 3u9fE-2x3hA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xd7 CORE HISTONE
MACRO-H2A.2

(Homo sapiens) 		PF01661
(Macro) 		5 PHE A 183
SER A 202
PHE A 354
LEU A 268
VAL A 273
 None
 1.23A 3u9fE-2xd7A:
undetectable		 3u9fE-2xd7A:
21.40
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 THR B 273
SER B 274
VAL B 121
PHE B 164
VAL B 212
 None
 1.38A 3u9fE-2yevB:
undetectable		 3u9fE-2yevB:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 SER A 218
PHE A 214
LEU A 146
VAL A 148
VAL A 114
 None
 1.26A 3u9fE-2yv5A:
undetectable		 3u9fE-2yv5A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 THR A 218
LEU A 203
VAL A 418
PHE A 421
VAL A 321
 None
 1.49A 3u9fE-2zygA:
undetectable		 3u9fE-2zygA:
16.77
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 SER A 218
LEU A 225
VAL A 228
PHE A 112
VAL A 165
 None
 1.40A 3u9fE-3a2qA:
undetectable		 3u9fE-3a2qA:
17.65
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 PHE A 304
LEU A 159
VAL A 132
PHE A 134
VAL A 163
 None
 1.47A 3u9fE-3ak5A:
undetectable		 3u9fE-3ak5A:
12.38
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 349
SER A 345
SER A  61
VAL A 268
PHE A 319
 None
 1.48A 3u9fE-3be7A:
undetectable		 3u9fE-3be7A:
19.02
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3042
SER A3041
SER A3044
LEU A3277
VAL A3323
 None
 1.49A 3u9fE-3cmvA:
undetectable		 3u9fE-3cmvA:
9.89
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.
3e77 PHOSPHOSERINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 SER A 238
LEU A 255
VAL A 202
PHE A 181
VAL A  60
 None
 1.11A 3u9fE-3e77A:
undetectable		 3u9fE-3e77A:
18.26
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 PHE A 164
LEU A 191
VAL A 206
PHE A 218
VAL A 135
 None
 1.48A 3u9fE-3fgbA:
undetectable		 3u9fE-3fgbA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsc QDTC

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00132
(Hexapep) 		5 PHE A  95
SER A 119
LEU A 151
VAL A 149
VAL A 139
 None
 1.37A 3u9fE-3fscA:
undetectable		 3u9fE-3fscA:
19.16
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 THR B 447
PHE B 483
SER B 671
VAL B 248
VAL B 600
 None
 1.29A 3u9fE-3hhsB:
undetectable		 3u9fE-3hhsB:
14.99
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.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 PHE A 223
PHE A 218
LEU A 209
VAL A 160
VAL A 170
 None
 1.25A 3u9fE-3lpsA:
undetectable		 3u9fE-3lpsA:
18.87
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 THR A 375
SER A 592
LEU A 604
PHE A 633
VAL A 590
 None
 1.08A 3u9fE-3mc2A:
undetectable		 3u9fE-3mc2A:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o82 PEPTIDE ARYLATION
ENZYME

(Acinetobacter
baumannii) 		PF00501
(AMP-binding) 		5 PHE A 272
LEU A 310
VAL A 312
PHE A 317
VAL A 325
 None
 1.25A 3u9fE-3o82A:
undetectable		 3u9fE-3o82A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 TYR A  55
LEU A 348
VAL A 335
PHE A 169
VAL A 352
 ATP  A 763 (-4.5A)
None
None
None
None
 1.05A 3u9fE-3o8lA:
undetectable		 3u9fE-3o8lA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		5 THR A  62
PHE A  89
LEU A 171
PHE A 163
VAL A 271
 PLM  A 702 (-3.7A)
PLM  A 702 ( 4.9A)
None
PLM  A 702 (-3.9A)
None
 1.43A 3u9fE-3pl5A:
undetectable		 3u9fE-3pl5A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qc0 SUGAR ISOMERASE

(Sinorhizobium
meliloti) 		PF01261
(AP_endonuc_2) 		5 SER A   7
LEU A  94
VAL A  41
PHE A  19
VAL A  53
 None
 1.30A 3u9fE-3qc0A:
undetectable		 3u9fE-3qc0A:
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.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		5 THR A 183
LEU A 211
VAL A  21
PHE A  65
VAL A  59
 None
 1.21A 3u9fE-3r2jA:
undetectable		 3u9fE-3r2jA:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 SER N  84
PHE N 241
SER N  41
VAL J 153
VAL N  21
 None
 1.38A 3u9fE-3rkoN:
undetectable		 3u9fE-3rkoN:
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 PHE A 284
LEU A 146
VAL A 105
PHE A 107
VAL A 150
 None
 1.49A 3u9fE-3syjA:
undetectable		 3u9fE-3syjA:
11.97
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 THR A 344
SER A 345
PHE A 161
SER A  31
VAL A 297
 None
 1.48A 3u9fE-3vvjA:
undetectable		 3u9fE-3vvjA:
17.09
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 PHE A 557
SER A 578
LEU A 617
PHE A 371
VAL A 612
 None
THG  A1652 (-4.2A)
None
None
None
 1.36A 3u9fE-4cczA:
undetectable		 3u9fE-4cczA:
15.66
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.
4ei8 PLASMID REPLICATION
PROTEIN REPX

(Bacillus cereus) 		PF00091
(Tubulin) 		5 THR A 223
SER A  15
LEU A 251
VAL A 181
VAL A 356
 None
 1.49A 3u9fE-4ei8A:
undetectable		 3u9fE-4ei8A:
19.44
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 THR B1194
LEU B1494
VAL B1500
PHE B1759
VAL B1724
 None
 1.47A 3u9fE-4f92B:
undetectable		 3u9fE-4f92B:
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3

(Homo sapiens) 		PF12937
(F-box-like) 		5 PHE B 379
LEU B 324
VAL B 319
PHE B 315
VAL B 327
 None
 1.46A 3u9fE-4i6jB:
undetectable		 3u9fE-4i6jB:
19.62
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 327
PHE A 331
VAL A 286
PHE A 311
VAL A 273
 None
 1.33A 3u9fE-4itxA:
2.6		 3u9fE-4itxA:
22.00
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.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 SER A  49
LEU A 309
VAL A  97
PHE A 326
VAL A 330
 None
 1.22A 3u9fE-4mfiA:
undetectable		 3u9fE-4mfiA:
18.92
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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A  93
LEU A  62
VAL A  64
PHE A 102
VAL A  30
 None
 1.38A 3u9fE-4nfnA:
undetectable		 3u9fE-4nfnA:
20.83
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.29A 3u9fE-4opuA:
undetectable		 3u9fE-4opuA:
17.65
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.
4qhs FLAGELLAR REGULATORY
PROTEIN C

(Vibrio cholerae) 		PF00158
(Sigma54_activat) 		5 PHE A 284
LEU A 247
VAL A 246
PHE A 219
VAL A 267
 None
 1.03A 3u9fE-4qhsA:
undetectable		 3u9fE-4qhsA:
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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 THR A 170
SER A 200
LEU A  58
VAL A  22
VAL A  56
 None
PO4  A 301 ( 4.4A)
None
None
None
 1.48A 3u9fE-4u28A:
undetectable		 3u9fE-4u28A:
19.84
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 SER A  80
LEU A 298
VAL A 235
PHE A 230
VAL A  84
 None
None
LLP  A 234 ( 3.1A)
None
None
 1.17A 3u9fE-4w91A:
undetectable		 3u9fE-4w91A:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 THR A 265
SER A 268
LEU A  33
VAL A 250
VAL A 272
 None
 1.45A 3u9fE-4wcjA:
undetectable		 3u9fE-4wcjA:
18.52
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A  56
SER A  58
LEU A  85
VAL A 213
VAL A  74
 None
 1.25A 3u9fE-4xg0A:
undetectable		 3u9fE-4xg0A:
18.86
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.
4xsq VARIABLE LYMPHOCYTE
RECEPTOR-LIKE
PROTEIN BF66946

(Branchiostoma
floridae) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 PHE A  73
LEU A 139
VAL A 116
PHE A 121
VAL A 137
 None
 1.36A 3u9fE-4xsqA:
undetectable		 3u9fE-4xsqA:
22.32
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.
4zxk SIALIDASE A

(Streptococcus
pneumoniae) 		PF02973
(Sialidase) 		5 TYR A 205
LEU A 146
VAL A 267
PHE A 171
VAL A 291
 None
 1.47A 3u9fE-4zxkA:
undetectable		 3u9fE-4zxkA:
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.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 THR A 231
TYR A 198
SER A 237
PHE A 171
VAL A 241
 None
 1.46A 3u9fE-5d7zA:
undetectable		 3u9fE-5d7zA:
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 THR A 341
SER A 371
LEU A 376
VAL A 110
PHE A 196
 None
 1.42A 3u9fE-5dkxA:
undetectable		 3u9fE-5dkxA:
12.87
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.
5dv5 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
alginolyticus) 		PF00392
(GntR)
PF07840
(FadR_C) 		5 PHE A  25
SER A  19
LEU A  48
VAL A  43
VAL A  51
 None
 1.40A 3u9fE-5dv5A:
undetectable		 3u9fE-5dv5A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eur UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		no annotation 5 THR A  43
SER A  42
LEU A   8
VAL A  21
PHE A  31
 None
 1.01A 3u9fE-5eurA:
undetectable		 3u9fE-5eurA:
19.63
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 5 PHE A 193
SER A 191
LEU A 156
VAL A 119
VAL A 186
 None
 1.28A 3u9fE-5gt5A:
undetectable		 3u9fE-5gt5A:
17.56
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.
5gtq LUCIFERIN
REGENERATING ENZYME

(Photinus
pyralis) 		PF08450
(SGL) 		5 THR A 122
LEU A  75
VAL A  54
PHE A  39
VAL A  73
 None
None
None
HG  A 402 (-4.2A)
None
 1.50A 3u9fE-5gtqA:
undetectable		 3u9fE-5gtqA:
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 SER A  58
LEU A  64
VAL A 108
PHE A  24
VAL A  56
 None
 1.07A 3u9fE-5hkjA:
undetectable		 3u9fE-5hkjA:
20.76
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 THR A 366
SER A 229
VAL A  97
PHE A 265
VAL A 194
 None
 1.25A 3u9fE-5hkjA:
undetectable		 3u9fE-5hkjA:
20.76
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 THR A 436
LEU A 474
VAL A 472
PHE A 467
VAL A 501
 None
 1.50A 3u9fE-5lm8A:
undetectable		 3u9fE-5lm8A:
18.12
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.
5nla PUTATIVE
TRANSCRIPTIONAL
REGULATOR
TRANSCRIPTION
REGULATOR PROTEIN

(Sinorhizobium
meliloti) 		PF12833
(HTH_18)
PF14525
(AraC_binding_2) 		5 THR A 136
SER A 134
PHE A 129
LEU A  70
PHE A 172
 None
 1.48A 3u9fE-5nlaA:
undetectable		 3u9fE-5nlaA:
20.86
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.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 331
SER A 586
LEU A 603
PHE A 318
VAL A 593
 None
 1.38A 3u9fE-5nuvA:
undetectable		 3u9fE-5nuvA:
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.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 THR A 332
LEU A 344
VAL A 191
PHE A 317
VAL A 300
 None
 1.44A 3u9fE-5olaA:
undetectable		 3u9fE-5olaA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ti1 FUMARYLACETOACETATE
HYDROLASE

(Paraburkholderia
xenovorans) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 SER A  79
LEU A 104
VAL A  51
PHE A  36
VAL A 100
 None
 1.16A 3u9fE-5ti1A:
undetectable		 3u9fE-5ti1A:
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.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 5 PHE A 105
LEU A  62
VAL A  87
PHE A  79
VAL A  58
 NAP  A 304 (-4.6A)
None
None
None
None
 1.27A 3u9fE-5tjzA:
undetectable		 3u9fE-5tjzA:
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.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		5 TYR A 189
PHE A 183
LEU A 288
VAL A  23
PHE A 272
 None
 1.26A 3u9fE-5umeA:
undetectable		 3u9fE-5umeA:
20.68
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 THR A 261
SER A 224
TYR A 254
VAL A 209
PHE A 167
 None
 1.41A 3u9fE-5w19A:
undetectable		 3u9fE-5w19A:
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.
5woz REGULATOR OF TY1
TRANSPOSITION
PROTEIN 103

(Saccharomyces
cerevisiae) 		no annotation 5 SER A   1
LEU A  25
VAL A  63
PHE A  79
VAL A  35
 None
 1.50A 3u9fE-5wozA:
undetectable		 3u9fE-5wozA:
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.
5xyb -

(-) 		no annotation 5 SER A 358
PHE A 167
SER A 351
LEU A 366
PHE A 276
 None
 1.27A 3u9fE-5xybA:
undetectable		 3u9fE-5xybA:
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.
6a91 -

(-) 		no annotation 5 SER A 870
LEU A 962
VAL A 965
PHE A1304
VAL A1308
 None
 1.42A 3u9fE-6a91A:
undetectable		 3u9fE-6a91A:
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.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 THR C 173
SER C 171
LEU C 245
VAL C 316
VAL C 267
 None
 1.45A 3u9fE-6cajC:
undetectable		 3u9fE-6cajC:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.31A 3u9fE-6coyA:
undetectable		 3u9fE-6coyA:
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 5 THR B 138
PHE B 207
LEU B 271
VAL B 275
PHE B 288
 None
 1.23A 3u9fE-6fpeB:
undetectable		 3u9fE-6fpeB:
undetectable