SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJQ_J_SAMJ200

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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 HIS A 407
ALA A 405
GLU A 351
ALA A 396
HIS A 402
 None
 1.13A 1mjqI-1b25A:
undetectable
1mjqJ-1b25A:
undetectable		 1mjqI-1b25A:
11.31
1mjqJ-1b25A:
11.31
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 HIS A 407
ALA A 405
GLU A 351
ARG A 355
HIS A 402
 None
 1.01A 1mjqI-1b25A:
undetectable
1mjqJ-1b25A:
undetectable		 1mjqI-1b25A:
11.31
1mjqJ-1b25A:
11.31
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.
1brw PROTEIN (PYRIMIDINE
NUCLEOSIDE
PHOSPHORYLASE)

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 297
ARG A 293
LEU A 273
GLU A 270
HIS A 266
 None
 0.73A 1mjqI-1brwA:
undetectable
1mjqJ-1brwA:
undetectable		 1mjqI-1brwA:
15.40
1mjqJ-1brwA:
15.40
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A 118
GLY A 138
GLU A  40
HIS A  44
PRO A  83
 CU  A 150 ( 3.2A)
None
None
CU  A 150 ( 3.2A)
None
 1.12A 1mjqI-1esoA:
undetectable
1mjqJ-1esoA:
undetectable		 1mjqI-1esoA:
21.62
1mjqJ-1esoA:
21.62
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 HIS A  59
GLY A 126
GLU A 118
GLU A 157
HIS A 156
 None
None
ZN  A 200 ( 4.2A)
None
None
 1.06A 1mjqI-1ge7A:
undetectable
1mjqJ-1ge7A:
undetectable		 1mjqI-1ge7A:
20.00
1mjqJ-1ge7A:
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A 200
GLY A 353
LEU A 224
GLU A 228
ALA A 227
 None
 1.14A 1mjqI-1h2bA:
undetectable
1mjqJ-1h2bA:
undetectable		 1mjqI-1h2bA:
14.67
1mjqJ-1h2bA:
14.67
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 ALA A 251
GLY A 249
LEU A 158
LEU A 234
PRO A 233
 None
 1.11A 1mjqI-1jmyA:
undetectable
1mjqJ-1jmyA:
undetectable		 1mjqI-1jmyA:
11.20
1mjqJ-1jmyA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kvk MEVALONATE KINASE

(Rattus
norvegicus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A 213
GLY A 211
LEU A  16
LEU A 227
PRO A 228
 None
 1.06A 1mjqI-1kvkA:
undetectable
1mjqJ-1kvkA:
undetectable		 1mjqI-1kvkA:
12.34
1mjqJ-1kvkA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ALA A 454
GLY A 452
LEU A 583
GLU A 586
ALA A 587
 None
None
ACT  A 805 ( 4.8A)
ACT  A 805 ( 4.2A)
None
 1.06A 1mjqI-1kwgA:
undetectable
1mjqJ-1kwgA:
undetectable		 1mjqI-1kwgA:
9.03
1mjqJ-1kwgA:
9.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.92A 1mjqI-1l9gA:
undetectable
1mjqJ-1l9gA:
undetectable		 1mjqI-1l9gA:
17.59
1mjqJ-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 HIS A1586
LEU A1578
ALA A1581
LEU A1501
PRO A1497
 None
 1.10A 1mjqI-1larA:
undetectable
1mjqJ-1larA:
undetectable		 1mjqI-1larA:
9.98
1mjqJ-1larA:
9.98
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 116
ARG A 126
LEU A 380
GLU A 383
ALA A 384
 None
 1.10A 1mjqI-1lq2A:
undetectable
1mjqJ-1lq2A:
undetectable		 1mjqI-1lq2A:
9.95
1mjqJ-1lq2A:
9.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mjl METHIONINE REPRESSOR
PROTEIN METJ

(Escherichia
coli) 		PF01340
(MetJ) 		8 GLU A  39
ARG A  43
LEU A  56
GLU A  59
ALA A  60
HIS A  63
LEU A  70
PRO A  71
 None
None
None
None
None
SAM  A 200 ( 2.9A)
None
None
 0.29A 1mjqI-1mjlA:
13.8
1mjqJ-1mjlA:
15.5		 1mjqI-1mjlA:
100.00
1mjqJ-1mjlA:
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 HIS A 326
PHE A 273
GLY A 275
ALA A 324
HIS A 325
 CU  A 603 ( 3.3A)
PC1  C 301 ( 4.8A)
None
None
CU  A 603 ( 3.4A)
 1.02A 1mjqI-1qleA:
undetectable
1mjqJ-1qleA:
undetectable		 1mjqI-1qleA:
11.11
1mjqJ-1qleA:
11.11
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A  26
GLU C 112
ARG C 116
LEU C  52
GLU C  74
 None
 1.11A 1mjqI-1sb3A:
undetectable
1mjqJ-1sb3A:
undetectable		 1mjqI-1sb3A:
8.53
1mjqJ-1sb3A:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1se8 SINGLE-STRAND
BINDING PROTEIN

(Deinococcus
radiodurans) 		PF00436
(SSB) 		5 ALA A  28
GLY A  26
GLU A  31
ALA A  63
LEU A  20
 None
 0.96A 1mjqI-1se8A:
undetectable
1mjqJ-1se8A:
undetectable		 1mjqI-1se8A:
19.83
1mjqJ-1se8A:
19.83
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.
1t12 NONSPECIFIC
LIPID-TRANSFER
PROTEIN 1

(Nicotiana
tabacum) 		PF00234
(Tryp_alpha_amyl) 		5 ALA A  66
GLY A  64
LEU A  51
ALA A  55
LEU A  18
 None
 1.13A 1mjqI-1t12A:
undetectable
1mjqJ-1t12A:
undetectable		 1mjqI-1t12A:
21.93
1mjqJ-1t12A:
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 ALA A 290
ARG A 342
LEU A 302
GLU A 299
ALA A 298
 None
 1.08A 1mjqI-1tuuA:
undetectable
1mjqJ-1tuuA:
undetectable		 1mjqI-1tuuA:
14.58
1mjqJ-1tuuA:
14.58
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.
1uz5 402AA LONG
HYPOTHETICAL
MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ALA A 184
PHE A 225
GLY A 223
LEU A 239
ALA A 243
 None
 1.11A 1mjqI-1uz5A:
undetectable
1mjqJ-1uz5A:
undetectable		 1mjqI-1uz5A:
14.25
1mjqJ-1uz5A:
14.25
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.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 GLY A  62
ARG A 223
GLU A  73
ALA A  69
LEU A  70
 None
 1.16A 1mjqI-1v2dA:
undetectable
1mjqJ-1v2dA:
undetectable		 1mjqI-1v2dA:
14.61
1mjqJ-1v2dA:
14.61
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.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 GLY A  62
ARG A 223
LEU A 267
GLU A  73
ALA A  69
 None
 0.84A 1mjqI-1v2dA:
undetectable
1mjqJ-1v2dA:
undetectable		 1mjqI-1v2dA:
14.61
1mjqJ-1v2dA:
14.61
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		5 ALA A 358
GLY A 360
ALA A  27
LEU A  28
PRO A  36
 None
 1.06A 1mjqI-1v4vA:
undetectable
1mjqJ-1v4vA:
undetectable		 1mjqI-1v4vA:
14.29
1mjqJ-1v4vA:
14.29
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 597
GLY A 552
GLU A 595
LEU A 656
GLU A 653
 None
 1.13A 1mjqI-1v7vA:
undetectable
1mjqJ-1v7vA:
undetectable		 1mjqI-1v7vA:
10.79
1mjqJ-1v7vA:
10.79
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE

(Bacillus
subtilis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 ALA A  21
LEU A  37
ALA A  41
LEU A 257
PRO A 254
 None
 0.89A 1mjqI-1vliA:
undetectable
1mjqJ-1vliA:
undetectable		 1mjqI-1vliA:
16.96
1mjqJ-1vliA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		5 ALA A 215
PHE A 218
LEU A 107
ALA A 139
LEU A 143
 None
 0.96A 1mjqI-1x1nA:
undetectable
1mjqJ-1x1nA:
undetectable		 1mjqI-1x1nA:
13.36
1mjqJ-1x1nA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xs5 MEMBRANE LIPOPROTEIN
TPN32

(Treponema
pallidum) 		PF03180
(Lipoprotein_9) 		5 ALA A 192
GLY A 190
LEU A 124
ALA A 127
PRO A 195
 None
 1.14A 1mjqI-1xs5A:
undetectable
1mjqJ-1xs5A:
undetectable		 1mjqI-1xs5A:
19.42
1mjqJ-1xs5A:
19.42
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 ALA A 101
GLY A 103
GLU A 170
ARG A 310
GLU A 177
 None
 1.05A 1mjqI-1yc9A:
undetectable
1mjqJ-1yc9A:
undetectable		 1mjqI-1yc9A:
13.62
1mjqJ-1yc9A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5l TRP REPRESSOR
BINDING PROTEIN WRBA

(Pseudomonas
aeruginosa) 		PF03358
(FMN_red) 		5 ALA A 110
PHE A 112
GLY A 161
ALA A 109
LEU A 189
 None
 1.09A 1mjqI-2a5lA:
undetectable
1mjqJ-2a5lA:
undetectable		 1mjqI-2a5lA:
19.40
1mjqJ-2a5lA:
19.40
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 784
PHE A 788
HIS A 804
LEU A 808
PRO A 815
 None
 1.12A 1mjqI-2b3xA:
undetectable
1mjqJ-2b3xA:
undetectable		 1mjqI-2b3xA:
7.63
1mjqJ-2b3xA:
7.63
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.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		5 GLY A  93
ARG A 153
LEU A 223
GLU A 226
ALA A 227
 None
 0.95A 1mjqI-2cfoA:
1.6
1mjqJ-2cfoA:
undetectable		 1mjqI-2cfoA:
11.09
1mjqJ-2cfoA:
11.09
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.
2cwd LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Thermus
thermophilus) 		PF01451
(LMWPc) 		5 ALA A  21
PHE A  25
GLY A  23
LEU A  88
LEU A 139
 None
 0.99A 1mjqI-2cwdA:
undetectable
1mjqJ-2cwdA:
undetectable		 1mjqI-2cwdA:
18.75
1mjqJ-2cwdA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 ALA A 224
GLY A 226
GLU A 234
LEU A 107
ALA A 110
 None
 1.13A 1mjqI-2dkkA:
undetectable
1mjqJ-2dkkA:
undetectable		 1mjqI-2dkkA:
11.97
1mjqJ-2dkkA:
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 HIS A 291
PHE A 237
GLY A 239
ALA A 289
HIS A 290
 CU  A 517 ( 3.1A)
None
None
None
CU  A 517 ( 3.2A)
 1.04A 1mjqI-2eijA:
undetectable
1mjqJ-2eijA:
undetectable		 1mjqI-2eijA:
10.52
1mjqJ-2eijA:
10.52
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.
2fk5 FUCULOSE-1-PHOSPHATE
ALDOLASE

(Thermus
thermophilus) 		PF00596
(Aldolase_II) 		5 ALA A  85
ARG A 144
LEU A 158
GLU A 168
ALA A 165
 None
 1.02A 1mjqI-2fk5A:
undetectable
1mjqJ-2fk5A:
undetectable		 1mjqI-2fk5A:
22.11
1mjqJ-2fk5A:
22.11
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.
2ghs AGR_C_1268P

(Agrobacterium
fabrum) 		PF08450
(SGL) 		5 HIS A 294
GLY A 258
GLU A  40
LEU A  38
GLU A 281
 None
None
EDO  A 317 (-3.9A)
None
None
 1.15A 1mjqI-2ghsA:
undetectable
1mjqJ-2ghsA:
undetectable		 1mjqI-2ghsA:
16.13
1mjqJ-2ghsA:
16.13
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 GLY A 322
ARG A  29
LEU A 357
HIS A 344
LEU A 349
 FMN  A4401 (-3.4A)
None
None
None
FMN  A4401 ( 3.8A)
 0.97A 1mjqI-2gouA:
undetectable
1mjqJ-2gouA:
undetectable		 1mjqI-2gouA:
14.25
1mjqJ-2gouA:
14.25
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		5 ALA A  83
GLU A  88
LEU A  59
GLU A  62
ALA A  63
 None
 1.05A 1mjqI-2hi0A:
undetectable
1mjqJ-2hi0A:
undetectable		 1mjqI-2hi0A:
17.98
1mjqJ-2hi0A:
17.98
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 788
GLY A 756
GLU A 782
GLU A 795
ALA A 798
 None
 1.04A 1mjqI-2hpiA:
undetectable
1mjqJ-2hpiA:
undetectable		 1mjqI-2hpiA:
7.27
1mjqJ-2hpiA:
7.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 GLY A 224
GLU A 232
GLU A 260
ALA A 257
LEU A 261
 None
 1.03A 1mjqI-2hxgA:
undetectable
1mjqJ-2hxgA:
undetectable		 1mjqI-2hxgA:
12.32
1mjqJ-2hxgA:
12.32
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.
2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01842
(ACT) 		5 GLY A 200
ARG A 269
GLU A 210
ALA A 206
LEU A 207
 ASP  A 502 (-4.2A)
None
None
None
None
 1.15A 1mjqI-2j0wA:
0.2
1mjqJ-2j0wA:
undetectable		 1mjqI-2j0wA:
13.90
1mjqJ-2j0wA:
13.90
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		5 ALA A 480
GLY A 483
GLU A 419
ALA A 415
PRO A 472
 None
 1.15A 1mjqI-2j7nA:
undetectable
1mjqJ-2j7nA:
undetectable		 1mjqI-2j7nA:
7.35
1mjqJ-2j7nA:
7.35
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ALA A  30
GLY A  53
GLU A  45
LEU A  19
LEU A  10
 None
 1.13A 1mjqI-2p4qA:
undetectable
1mjqJ-2p4qA:
undetectable		 1mjqI-2p4qA:
12.32
1mjqJ-2p4qA:
12.32
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.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		5 HIS A 297
GLY A 195
ALA A 295
LEU A 200
PRO A 201
 CD  A 341 (-3.6A)
None
None
None
None
 1.14A 1mjqI-2r1fA:
undetectable
1mjqJ-2r1fA:
0.9		 1mjqI-2r1fA:
20.90
1mjqJ-2r1fA:
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.
2r8w AGR_C_1641P

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 ALA A  40
GLY A  73
LEU A 252
ALA A 244
LEU A  64
 None
 0.96A 1mjqI-2r8wA:
undetectable
1mjqJ-2r8wA:
undetectable		 1mjqI-2r8wA:
16.20
1mjqJ-2r8wA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 ALA A 309
GLU A  78
ARG A  73
LEU A 311
GLU A 312
 None
 1.08A 1mjqI-2wu8A:
undetectable
1mjqJ-2wu8A:
undetectable		 1mjqI-2wu8A:
10.96
1mjqJ-2wu8A:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.43A 1mjqI-2yp2A:
undetectable
1mjqJ-2yp2A:
undetectable		 1mjqI-2yp2A:
11.02
1mjqJ-2yp2A:
11.02
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 ALA A  37
GLY A  35
HIS A  29
LEU A 132
PRO A 114
 None
 0.98A 1mjqI-2zf8A:
undetectable
1mjqJ-2zf8A:
undetectable		 1mjqI-2zf8A:
18.57
1mjqJ-2zf8A:
18.57
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 ALA A  84
PHE A  82
GLY A  86
ALA A  97
LEU A  91
 None
 0.98A 1mjqI-2zktA:
undetectable
1mjqJ-2zktA:
undetectable		 1mjqI-2zktA:
13.40
1mjqJ-2zktA:
13.40
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  87
PHE A  88
GLY A  90
LEU A  81
PRO A  72
 None
 0.95A 1mjqI-3c4qA:
undetectable
1mjqJ-3c4qA:
undetectable		 1mjqI-3c4qA:
13.37
1mjqJ-3c4qA:
13.37
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 123
PHE A 136
GLU A  56
ALA A  61
HIS A  40
 FE  A 310 (-3.3A)
None
None
None
ZN  A 301 (-3.5A)
 0.89A 1mjqI-3dcpA:
undetectable
1mjqJ-3dcpA:
undetectable		 1mjqI-3dcpA:
16.86
1mjqJ-3dcpA:
16.86
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 123
PHE A 136
GLU A  56
HIS A  40
PRO A  13
 FE  A 310 (-3.3A)
None
None
ZN  A 301 (-3.5A)
None
 0.99A 1mjqI-3dcpA:
undetectable
1mjqJ-3dcpA:
undetectable		 1mjqI-3dcpA:
16.86
1mjqJ-3dcpA:
16.86
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.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 ARG A 129
GLU A  75
ALA A  74
LEU A 122
PRO A 125
 None
 1.16A 1mjqI-3emkA:
undetectable
1mjqJ-3emkA:
undetectable		 1mjqI-3emkA:
14.23
1mjqJ-3emkA:
14.23
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.
3f6p TRANSCRIPTIONAL
REGULATORY PROTEIN
YYCF

(Bacillus
subtilis) 		PF00072
(Response_reg) 		5 ALA A  32
GLU A  44
ALA A  38
LEU A   6
PRO A  47
 None
 1.16A 1mjqI-3f6pA:
undetectable
1mjqJ-3f6pA:
undetectable		 1mjqI-3f6pA:
22.73
1mjqJ-3f6pA:
22.73
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.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		5 ALA A  66
LEU A 123
ALA A  86
LEU A 111
PRO A 112
 None
 1.01A 1mjqI-3gohA:
undetectable
1mjqJ-3gohA:
undetectable		 1mjqI-3gohA:
14.42
1mjqJ-3gohA:
14.42
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.
3hra ANKYRIN REPEAT
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 HIS A 118
ALA A 113
GLY A  83
GLU A 131
ALA A 114
 None
 1.08A 1mjqI-3hraA:
undetectable
1mjqJ-3hraA:
undetectable		 1mjqI-3hraA:
17.95
1mjqJ-3hraA:
17.95
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 326
ARG A 294
LEU A 383
ALA A 385
HIS A 386
 None
 1.04A 1mjqI-3hrdA:
undetectable
1mjqJ-3hrdA:
undetectable		 1mjqI-3hrdA:
12.71
1mjqJ-3hrdA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 220
GLY A 222
ARG A 208
ALA A 195
PRO A 200
 None
 1.02A 1mjqI-3ihvA:
undetectable
1mjqJ-3ihvA:
undetectable		 1mjqI-3ihvA:
12.73
1mjqJ-3ihvA:
12.73
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 ALA A 193
GLY A 132
LEU A 221
GLU A 225
ALA A 194
 None
 1.13A 1mjqI-3k2gA:
undetectable
1mjqJ-3k2gA:
undetectable		 1mjqI-3k2gA:
14.17
1mjqJ-3k2gA:
14.17
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 HIS A  27
ALA A  28
PHE A  29
LEU A 104
ALA A 292
 None
 1.12A 1mjqI-3olzA:
undetectable
1mjqJ-3olzA:
undetectable		 1mjqI-3olzA:
13.07
1mjqJ-3olzA:
13.07
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 HIS A 334
PHE A 281
GLY A 283
ALA A 332
HIS A 333
 CU1  A   5 (-3.1A)
None
None
None
HEA  A   2 ( 3.3A)
 1.10A 1mjqI-3omnA:
undetectable
1mjqJ-3omnA:
undetectable		 1mjqI-3omnA:
10.67
1mjqJ-3omnA:
10.67
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.
3r8c CYTIDYLATE KINASE

(Mycobacteroides
abscessus) 		PF02224
(Cytidylate_kin) 		5 GLY A  31
ARG A  43
LEU A  76
ALA A  74
PRO A  84
 None
 1.04A 1mjqI-3r8cA:
undetectable
1mjqJ-3r8cA:
undetectable		 1mjqI-3r8cA:
17.65
1mjqJ-3r8cA:
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLU A  31
ARG A   5
LEU A 232
GLU A 229
ALA A 228
 None
 1.08A 1mjqI-3toxA:
undetectable
1mjqJ-3toxA:
undetectable		 1mjqI-3toxA:
15.36
1mjqJ-3toxA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 HIS A 476
GLY A 505
ALA A 478
HIS A 479
LEU A 730
 None
None
None
ZN  A   3 ( 3.4A)
None
 0.96A 1mjqI-3ttfA:
undetectable
1mjqJ-3ttfA:
undetectable		 1mjqI-3ttfA:
12.38
1mjqJ-3ttfA:
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 130
ARG A 140
LEU A 388
GLU A 391
ALA A 392
 None
 1.02A 1mjqI-3uszA:
undetectable
1mjqJ-3uszA:
undetectable		 1mjqI-3uszA:
8.46
1mjqJ-3uszA:
8.46
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ALA A  25
GLY A  39
LEU A  16
GLU A  19
LEU A  23
 None
 1.12A 1mjqI-3v8vA:
undetectable
1mjqJ-3v8vA:
undetectable		 1mjqI-3v8vA:
13.17
1mjqJ-3v8vA:
13.17
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		5 GLY A  31
GLU A  68
LEU A  40
GLU A  41
ALA A  38
 PO4  A 401 (-3.5A)
None
None
None
None
 1.12A 1mjqI-3w9vA:
undetectable
1mjqJ-3w9vA:
undetectable		 1mjqI-3w9vA:
13.00
1mjqJ-3w9vA:
13.00
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 ALA A 113
PHE A  87
GLY A 116
GLU A  89
ARG A 269
GLU A 396
 None
 1.34A 1mjqI-3wheA:
undetectable
1mjqJ-3wheA:
undetectable		 1mjqI-3wheA:
12.03
1mjqJ-3wheA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		5 ALA A 201
PHE A 107
GLY A 106
ALA A 226
HIS A  85
 None
 1.13A 1mjqI-3wonA:
undetectable
1mjqJ-3wonA:
undetectable		 1mjqI-3wonA:
9.02
1mjqJ-3wonA:
9.02
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.
3zs3 THAUMATIN-LIKE
PROTEIN

(Malus domestica) 		PF00314
(Thaumatin) 		5 ALA A 159
GLY A 164
GLU A 184
LEU A 144
PRO A 141
 None
 1.12A 1mjqI-3zs3A:
undetectable
1mjqJ-3zs3A:
undetectable		 1mjqI-3zs3A:
17.41
1mjqJ-3zs3A:
17.41
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.
4a45 ALPHA-N-ACETYLGLUCOS
AMINIDASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 HIS A1392
ALA A1484
GLY A1429
LEU A1401
PRO A1402
 NGA  A2494 (-3.6A)
None
None
None
None
 1.15A 1mjqI-4a45A:
undetectable
1mjqJ-4a45A:
undetectable		 1mjqI-4a45A:
18.12
1mjqJ-4a45A:
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.
4buh CLONE M0418 SCFV

(Homo sapiens) 		PF07686
(V-set) 		5 ALA A  35
GLY A  49
GLU A 231
ALA A  97
LEU A  99
 None
 1.10A 1mjqI-4buhA:
undetectable
1mjqJ-4buhA:
undetectable		 1mjqI-4buhA:
16.41
1mjqJ-4buhA:
16.41
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 GLU A  67
ARG A  63
ALA A  24
HIS A  23
PRO A  20
 None
 1.11A 1mjqI-4czxA:
undetectable
1mjqJ-4czxA:
undetectable		 1mjqI-4czxA:
12.18
1mjqJ-4czxA:
12.18
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.
4eec STAL

(Streptomyces
toyocaensis) 		PF00685
(Sulfotransfer_1) 		5 ALA A 263
GLY A 267
LEU A 252
ALA A 260
PRO A 139
 None
 1.13A 1mjqI-4eecA:
undetectable
1mjqJ-4eecA:
undetectable		 1mjqI-4eecA:
17.63
1mjqJ-4eecA:
17.63
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.
4egs RIBOSE 5-PHOSPHATE
ISOMERASE RPIB

(Caldanaerobacter
subterraneus) 		PF01451
(LMWPc) 		5 ALA A  17
PHE A  21
GLY A  19
LEU A  83
LEU A 135
 ALA  A  17 ( 0.0A)
PHE  A  21 ( 1.3A)
GLY  A  19 ( 0.0A)
LEU  A  83 ( 0.6A)
LEU  A 135 ( 0.6A)
 1.12A 1mjqI-4egsA:
undetectable
1mjqJ-4egsA:
undetectable		 1mjqI-4egsA:
21.20
1mjqJ-4egsA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 GLY A 401
GLU A 374
LEU A 415
ALA A 419
LEU A 378
 None
 1.04A 1mjqI-4fqdA:
undetectable
1mjqJ-4fqdA:
undetectable		 1mjqI-4fqdA:
12.07
1mjqJ-4fqdA:
12.07
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A  99
GLU A  36
ARG A  52
LEU A  50
ALA A  47
 None
 1.14A 1mjqI-4hh8A:
undetectable
1mjqJ-4hh8A:
undetectable		 1mjqI-4hh8A:
18.26
1mjqJ-4hh8A:
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.
4hh8 BUTYROPHILIN
SUBFAMILY 1 MEMBER
A1

(Bos taurus) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 PHE A  99
GLU A  36
ARG A  52
LEU A  50
GLU A  60
 None
 1.03A 1mjqI-4hh8A:
undetectable
1mjqJ-4hh8A:
undetectable		 1mjqI-4hh8A:
18.26
1mjqJ-4hh8A:
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 234
GLU A 215
LEU A 394
GLU A 397
ALA A 398
 None
 1.10A 1mjqI-4l7tA:
undetectable
1mjqJ-4l7tA:
undetectable		 1mjqI-4l7tA:
13.28
1mjqJ-4l7tA:
13.28
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.
4l7w HD DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF13023
(HD_3) 		5 GLY A  34
GLU A 146
ARG A  52
GLU A 153
ALA A 151
 None
 0.91A 1mjqI-4l7wA:
undetectable
1mjqJ-4l7wA:
undetectable		 1mjqI-4l7wA:
16.99
1mjqJ-4l7wA:
16.99
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 GLY A 184
ARG A 255
LEU A 259
GLU A 262
ALA A 263
 None
 1.09A 1mjqI-4llsA:
undetectable
1mjqJ-4llsA:
undetectable		 1mjqI-4llsA:
18.61
1mjqJ-4llsA:
18.61
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2
CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF01239
(PPTA)
PF00432
(Prenyltrans) 		5 ALA B 158
GLY B 161
ARG B 175
LEU A  30
GLU B 138
 None
 1.03A 1mjqI-4mbgB:
undetectable
1mjqJ-4mbgB:
undetectable		 1mjqI-4mbgB:
13.00
1mjqJ-4mbgB:
13.00
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 HIS B 218
ALA B 215
GLY B  87
GLU B  11
ALA B 216
 None
 1.03A 1mjqI-4qezB:
undetectable
1mjqJ-4qezB:
undetectable		 1mjqI-4qezB:
17.83
1mjqJ-4qezB:
17.83
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.
4s37 PHAGE BASEPLATE
PROTEIN

(Pseudomonas
aeruginosa) 		PF04717
(Phage_base_V) 		5 ALA A  14
GLY A  73
ALA A  13
LEU A  17
PRO A  18
 None
 1.10A 1mjqI-4s37A:
undetectable
1mjqJ-4s37A:
undetectable		 1mjqI-4s37A:
20.44
1mjqJ-4s37A:
20.44
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.
4wyi MONOGALACTOSYLDIACYL
GLYCEROL SYNTHASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF04101
(Glyco_tran_28_C)
PF06925
(MGDG_synth) 		5 ALA A 483
PHE A 486
GLY A 487
LEU A 369
ALA A 372
 None
 1.08A 1mjqI-4wyiA:
undetectable
1mjqJ-4wyiA:
undetectable		 1mjqI-4wyiA:
14.44
1mjqJ-4wyiA:
14.44
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 123
GLY A 125
LEU A 153
ALA A 151
LEU A 178
 None
 1.12A 1mjqI-4xeuA:
undetectable
1mjqJ-4xeuA:
undetectable		 1mjqI-4xeuA:
11.13
1mjqJ-4xeuA:
11.13
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 GLY A 451
ARG A 422
GLU A 507
ALA A 509
HIS A 506
 None
 1.15A 1mjqI-4zm6A:
undetectable
1mjqJ-4zm6A:
undetectable		 1mjqI-4zm6A:
10.43
1mjqJ-4zm6A:
10.43
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.
5bxo TANKYRASE-2

(Homo sapiens) 		PF12796
(Ank_2) 		5 HIS A 571
ALA A 566
GLY A 535
ALA A 575
PRO A 595
 None
 1.13A 1mjqI-5bxoA:
undetectable
1mjqJ-5bxoA:
undetectable		 1mjqI-5bxoA:
22.50
1mjqJ-5bxoA:
22.50
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF03170
(BcsB) 		5 ALA B 365
GLY B 363
ARG B 334
LEU B 368
PRO B 369
 None
 1.08A 1mjqI-5ej1B:
undetectable
1mjqJ-5ej1B:
undetectable		 1mjqI-5ej1B:
10.26
1mjqJ-5ej1B:
10.26
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		5 ALA A 109
GLY A 112
GLU A  51
ALA A  47
PRO A 101
 None
 1.13A 1mjqI-5fswA:
undetectable
1mjqJ-5fswA:
undetectable		 1mjqI-5fswA:
8.06
1mjqJ-5fswA:
8.06
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 PHE A 357
GLY A 353
LEU A 384
ALA A 394
LEU A 471
 None
 1.16A 1mjqI-5g0qA:
undetectable
1mjqJ-5g0qA:
undetectable		 1mjqI-5g0qA:
11.76
1mjqJ-5g0qA:
11.76
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.
5g52 VP1
VP2

(Deformed wing
virus;
Deformed wing
virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv) 		5 ALA B 164
GLY A   1
GLU B 173
ALA B 137
LEU B 176
 None
 1.04A 1mjqI-5g52B:
undetectable
1mjqJ-5g52B:
undetectable		 1mjqI-5g52B:
16.80
1mjqJ-5g52B:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 HIS A 313
ALA A 255
GLY A 259
ALA A 316
HIS A 317
 HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
GOL  A 511 (-3.9A)
HEM  A 505 (-3.5A)
 0.76A 1mjqI-5o0tA:
undetectable
1mjqJ-5o0tA:
undetectable		 1mjqI-5o0tA:
19.31
1mjqJ-5o0tA:
19.31
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.
5o0t PUTATIVE FERRIC
REDUCTASE

(Cylindrospermum
stagnale) 		PF01794
(Ferric_reduct) 		5 HIS A 313
ALA A 255
GLY A 259
LEU A 250
HIS A 317
 HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.2A)
None
HEM  A 505 (-3.5A)
 1.00A 1mjqI-5o0tA:
undetectable
1mjqJ-5o0tA:
undetectable		 1mjqI-5o0tA:
19.31
1mjqJ-5o0tA:
19.31
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.
5oie -

(-) 		no annotation 5 GLY A 220
LEU A 229
GLU A 230
LEU A 199
PRO A 200
 None
 0.85A 1mjqI-5oieA:
undetectable
1mjqJ-5oieA:
undetectable		 1mjqI-5oieA:
undetectable
1mjqJ-5oieA:
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY B 299
GLU B 206
ARG B 210
LEU B 163
GLU B 166
 None
 1.10A 1mjqI-5op0B:
undetectable
1mjqJ-5op0B:
undetectable		 1mjqI-5op0B:
17.30
1mjqJ-5op0B:
17.30
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6) 		5 ALA C  96
GLY C  99
GLU C  67
ALA C  91
PRO C 161
 None
None
SF4  C 201 ( 3.6A)
None
None
 1.12A 1mjqI-5xfaC:
undetectable
1mjqJ-5xfaC:
undetectable		 1mjqI-5xfaC:
21.08
1mjqJ-5xfaC:
21.08
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.
6ams BETA SLIDING CLAMP

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 226
GLY A 216
LEU A  53
GLU A 203
LEU A 204
 None
 1.16A 1mjqI-6amsA:
undetectable
1mjqJ-6amsA:
undetectable		 1mjqI-6amsA:
16.76
1mjqJ-6amsA:
16.76
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 ALA A 356
GLY A 354
GLU A 318
LEU A 240
PRO A 397
 None
 1.16A 1mjqI-6d0nA:
undetectable
1mjqJ-6d0nA:
undetectable		 1mjqI-6d0nA:
undetectable
1mjqJ-6d0nA:
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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 5 ALA A 116
GLY A 114
ALA A 122
LEU A   6
PRO A   7
 ACT  A 201 (-3.6A)
ACT  A 201 (-3.3A)
GOL  A 202 ( 3.8A)
None
None
 1.11A 1mjqI-6ehiA:
undetectable
1mjqJ-6ehiA:
undetectable		 1mjqI-6ehiA:
undetectable
1mjqJ-6ehiA:
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.
6g3u -

(-) 		no annotation 5 HIS A 269
GLY A 268
ARG A 326
LEU A 240
GLU A 237
 None
 1.12A 1mjqI-6g3uA:
undetectable
1mjqJ-6g3uA:
undetectable		 1mjqI-6g3uA:
undetectable
1mjqJ-6g3uA:
undetectable