SIMILAR PATTERNS OF AMINO ACIDS FOR 1MJQ_G_SAMG199_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.
1cte CATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1) 		5 GLU A  36
ALA A 200
HIS A 199
PHE A  32
GLY A  27
 None
None
PYS  A 255 ( 4.1A)
None
None
 1.25A 1mjqG-1cteA:
undetectable
1mjqH-1cteA:
undetectable		 1mjqG-1cteA:
16.87
1mjqH-1cteA:
16.87
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ARG A 241
ALA A 234
LEU A  19
ALA A 233
GLY A  13
 None
 1.22A 1mjqG-1hygA:
undetectable
1mjqH-1hygA:
undetectable		 1mjqG-1hygA:
14.06
1mjqH-1hygA:
14.06
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ARG A 560
GLU A 586
ALA A 587
ALA A 454
GLY A 452
 ACT  A 805 (-4.0A)
ACT  A 805 ( 4.2A)
None
None
None
 1.18A 1mjqG-1kwgA:
undetectable
1mjqH-1kwgA:
undetectable		 1mjqG-1kwgA:
9.03
1mjqH-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.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ARG A1481
GLU A1479
ALA A1468
LEU A1454
GLY A1442
 None
 1.23A 1mjqG-1larA:
undetectable
1mjqH-1larA:
undetectable		 1mjqG-1larA:
9.98
1mjqH-1larA:
9.98
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) 		7 GLU A  39
ARG A  43
GLU A  59
ALA A  60
HIS A  63
LEU A  70
PRO A  71
 None
None
None
None
SAM  A 200 ( 2.9A)
None
None
 0.33A 1mjqG-1mjlA:
14.1
1mjqH-1mjlA:
15.4		 1mjqG-1mjlA:
100.00
1mjqH-1mjlA:
100.00
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) 		5 GLU A  39
ARG A  43
LEU A  70
PRO A  71
ALA A  60
 None
 1.23A 1mjqG-1mjlA:
14.1
1mjqH-1mjlA:
15.4		 1mjqG-1mjlA:
100.00
1mjqH-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.
1nio B-LUFFIN

(Luffa
aegyptiaca) 		PF00161
(RIP) 		5 GLU A 123
GLU A 189
ALA A 185
ALA A 184
GLY A 220
 None
 1.25A 1mjqG-1nioA:
undetectable
1mjqH-1nioA:
undetectable		 1mjqG-1nioA:
19.25
1mjqH-1nioA:
19.25
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 176
LEU A 129
PRO A 128
ALA A 103
GLY A 151
 None
 1.21A 1mjqG-1rf5A:
undetectable
1mjqH-1rf5A:
undetectable		 1mjqG-1rf5A:
14.50
1mjqH-1rf5A:
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.
1se8 SINGLE-STRAND
BINDING PROTEIN

(Deinococcus
radiodurans) 		PF00436
(SSB) 		5 GLU A  31
ALA A  63
LEU A  20
ALA A  28
GLY A  26
 None
 0.95A 1mjqG-1se8A:
undetectable
1mjqH-1se8A:
undetectable		 1mjqG-1se8A:
19.83
1mjqH-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.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 ALA A 159
LEU A 163
PRO A 167
ALA A 187
GLY A 191
 None
 1.23A 1mjqG-1ub0A:
undetectable
1mjqH-1ub0A:
undetectable		 1mjqG-1ub0A:
15.29
1mjqH-1ub0A:
15.29
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 ALA A 279
LEU A 282
PRO A  60
ALA A 261
GLY A 263
 None
None
None
None
FMN  A 501 (-3.2A)
 1.31A 1mjqG-1vcgA:
undetectable
1mjqH-1vcgA:
undetectable		 1mjqG-1vcgA:
16.33
1mjqH-1vcgA:
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 GLU B 290
LEU B 288
PRO B 377
ALA B 279
GLY B 282
 None
 1.26A 1mjqG-1vraB:
undetectable
1mjqH-1vraB:
undetectable		 1mjqG-1vraB:
20.00
1mjqH-1vraB:
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLU A 299
ALA A 300
LEU A 295
ALA A 321
GLY A 230
 None
 1.32A 1mjqG-1w5eA:
undetectable
1mjqH-1w5eA:
undetectable		 1mjqG-1w5eA:
14.25
1mjqH-1w5eA:
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU A 183
ALA A 188
PRO B  56
ALA A 152
GLY B  68
 None
 1.15A 1mjqG-1w85A:
undetectable
1mjqH-1w85A:
undetectable		 1mjqG-1w85A:
12.81
1mjqH-1w85A:
12.81
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.
1y9g EXO-INULINASE

(Aspergillus
awamori) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLU A  99
ARG A  91
ALA A 154
LEU A  88
GLY A 104
 None
 1.28A 1mjqG-1y9gA:
undetectable
1mjqH-1y9gA:
undetectable		 1mjqG-1y9gA:
11.35
1mjqH-1y9gA:
11.35
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.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		5 ALA A 153
HIS A 154
LEU A 300
PRO A 301
ALA A 150
 None
 1.21A 1mjqG-1y9uA:
undetectable
1mjqH-1y9uA:
undetectable		 1mjqG-1y9uA:
16.86
1mjqH-1y9uA:
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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 GLU A 170
ARG A 310
GLU A 177
ALA A 101
GLY A 103
 None
 1.09A 1mjqG-1yc9A:
undetectable
1mjqH-1yc9A:
undetectable		 1mjqG-1yc9A:
13.62
1mjqH-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.
1yc9 MULTIDRUG RESISTANCE
PROTEIN

(Vibrio cholerae) 		PF02321
(OEP) 		5 GLU A 177
ALA A 174
ALA A 101
PHE A 104
GLY A 103
 None
 1.20A 1mjqG-1yc9A:
undetectable
1mjqH-1yc9A:
undetectable		 1mjqG-1yc9A:
13.62
1mjqH-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 109
LEU A 189
ALA A 110
PHE A 112
GLY A 161
 None
 1.09A 1mjqG-2a5lA:
undetectable
1mjqH-2a5lA:
undetectable		 1mjqG-2a5lA:
19.40
1mjqH-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 HIS A 804
LEU A 808
PRO A 815
ALA A 784
PHE A 788
 None
 1.14A 1mjqG-2b3xA:
undetectable
1mjqH-2b3xA:
undetectable		 1mjqG-2b3xA:
7.63
1mjqH-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 808
PRO A 815
ALA A 784
PHE A 788
GLY A 786
 None
 1.19A 1mjqG-2b3xA:
undetectable
1mjqH-2b3xA:
undetectable		 1mjqG-2b3xA:
7.63
1mjqH-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.
2f59 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE
1

(Brucella
abortus) 		PF00885
(DMRL_synthase) 		5 GLU A  40
ALA A  37
ALA A 142
PHE A 140
GLY A 114
 None
 1.17A 1mjqG-2f59A:
undetectable
1mjqH-2f59A:
undetectable		 1mjqG-2f59A:
19.75
1mjqH-2f59A:
19.75
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 GLU A 350
ALA A 354
ALA A 348
PHE A 346
GLY A 344
 None
 1.15A 1mjqG-2hb6A:
undetectable
1mjqH-2hb6A:
undetectable		 1mjqG-2hb6A:
12.76
1mjqH-2hb6A:
12.76
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 GLU A 782
GLU A 795
ALA A 798
ALA A 788
GLY A 756
 None
 1.00A 1mjqG-2hpiA:
undetectable
1mjqH-2hpiA:
undetectable		 1mjqG-2hpiA:
7.27
1mjqH-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 GLU A 232
GLU A 260
ALA A 257
LEU A 261
GLY A 224
 None
 1.06A 1mjqG-2hxgA:
undetectable
1mjqH-2hxgA:
undetectable		 1mjqG-2hxgA:
12.32
1mjqH-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.
2hz2 CYANOGLOBIN

(Synechocystis
sp. PCC 6803) 		PF01152
(Bac_globin) 		5 GLU A 102
ALA A 106
LEU A  92
ALA A 109
GLY A 113
 None
 1.06A 1mjqG-2hz2A:
undetectable
1mjqH-2hz2A:
undetectable		 1mjqG-2hz2A:
22.76
1mjqH-2hz2A:
22.76
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		5 GLU A 419
ALA A 415
PRO A 472
ALA A 480
GLY A 483
 None
 1.13A 1mjqG-2j7nA:
undetectable
1mjqH-2j7nA:
undetectable		 1mjqG-2j7nA:
7.35
1mjqH-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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLU A 377
ALA A 337
LEU A 334
ALA A 371
GLY A 373
 None
 1.31A 1mjqG-2nsmA:
undetectable
1mjqH-2nsmA:
undetectable		 1mjqG-2nsmA:
12.12
1mjqH-2nsmA:
12.12
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.
2nxo HYPOTHETICAL PROTEIN
SCO4506

(Streptomyces
coelicolor) 		PF02621
(VitK2_biosynth) 		5 ARG A 192
GLU A 277
ALA A  71
ALA A 189
GLY A  55
 None
 1.31A 1mjqG-2nxoA:
undetectable
1mjqH-2nxoA:
undetectable		 1mjqG-2nxoA:
16.32
1mjqH-2nxoA:
16.32
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 GLU A 120
ALA A 185
LEU A 145
ALA A 136
GLY A 142
 None
 1.33A 1mjqG-2p18A:
undetectable
1mjqH-2p18A:
undetectable		 1mjqG-2p18A:
14.75
1mjqH-2p18A:
14.75
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLU A 343
GLU A 293
ALA A 348
PHE A 342
GLY A 350
 ATP  A 500 (-2.9A)
None
None
None
None
 1.26A 1mjqG-2paaA:
undetectable
1mjqH-2paaA:
undetectable		 1mjqG-2paaA:
13.86
1mjqH-2paaA:
13.86
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ARG A 205
ALA A 323
ALA A 250
PHE A 253
GLY A 252
 None
 1.20A 1mjqG-2vcaA:
undetectable
1mjqH-2vcaA:
undetectable		 1mjqG-2vcaA:
8.52
1mjqH-2vcaA:
8.52
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLU A 211
ALA A 206
LEU A 217
ALA A 182
GLY A 185
 None
 1.31A 1mjqG-2w37A:
undetectable
1mjqH-2w37A:
undetectable		 1mjqG-2w37A:
18.24
1mjqH-2w37A:
18.24
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 GLU A 599
GLU A 602
LEU A 603
PRO A 568
GLY A 619
 None
 1.31A 1mjqG-2y3aA:
undetectable
1mjqH-2y3aA:
undetectable		 1mjqG-2y3aA:
7.52
1mjqH-2y3aA:
7.52
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.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 GLU A  90
GLU A  31
LEU A  33
ALA A  83
GLY A  79
 None
None
None
None
GDP  A 401 ( 3.8A)
 1.29A 1mjqG-2y4lA:
undetectable
1mjqH-2y4lA:
undetectable		 1mjqG-2y4lA:
13.03
1mjqH-2y4lA:
13.03
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.36A 1mjqG-2yp2A:
undetectable
1mjqH-2yp2A:
undetectable		 1mjqG-2yp2A:
11.02
1mjqH-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.
2yw4 4-HYDROXY-2-OXOGLUTA
RATE
ALDOLASE/2-DEYDRO-3-
DEOXYPHOSPHOGLUCONAT
E ALDOLASE

(Thermus
thermophilus) 		PF01081
(Aldolase) 		5 GLU A  43
ALA A  79
LEU A  55
ALA A  84
PHE A  86
 None
 1.20A 1mjqG-2yw4A:
undetectable
1mjqH-2yw4A:
undetectable		 1mjqG-2yw4A:
18.84
1mjqH-2yw4A:
18.84
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.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 173
GLU A 250
ALA A 247
LEU A 251
ALA A 242
 None
 1.25A 1mjqG-2yxzA:
undetectable
1mjqH-2yxzA:
undetectable		 1mjqG-2yxzA:
20.08
1mjqH-2yxzA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3b ATP-DEPENDENT
PROTEASE HSLV

(Bacillus
subtilis) 		PF00227
(Proteasome) 		5 GLU A 154
GLU A 178
ALA A  18
LEU A 176
ALA A 156
 None
 1.22A 1mjqG-2z3bA:
undetectable
1mjqH-2z3bA:
undetectable		 1mjqG-2z3bA:
17.58
1mjqH-2z3bA:
17.58
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 HIS A  29
LEU A 132
PRO A 114
ALA A  37
GLY A  35
 None
 0.92A 1mjqG-2zf8A:
undetectable
1mjqH-2zf8A:
undetectable		 1mjqG-2zf8A:
18.57
1mjqH-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  97
LEU A  91
ALA A  84
PHE A  82
GLY A  86
 None
 1.01A 1mjqG-2zktA:
undetectable
1mjqH-2zktA:
undetectable		 1mjqG-2zktA:
13.40
1mjqH-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.
3d6n ASPARTATE
CARBAMOYLTRANSFERASE

(Aquifex
aeolicus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLU B  17
GLU B  24
ALA B  22
ALA B 284
PHE B 288
 None
 1.03A 1mjqG-3d6nB:
undetectable
1mjqH-3d6nB:
undetectable		 1mjqG-3d6nB:
19.58
1mjqH-3d6nB:
19.58
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.
3dpu RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF08477
(Roc)
PF16095
(COR) 		5 ALA A 629
LEU A 447
PRO A 627
ALA A 440
GLY A 444
 None
 1.31A 1mjqG-3dpuA:
undetectable
1mjqH-3dpuA:
undetectable		 1mjqG-3dpuA:
12.82
1mjqH-3dpuA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 189
PRO A 249
ALA A 151
PHE A 149
GLY A 153
 None
 1.25A 1mjqG-3e9yA:
undetectable
1mjqH-3e9yA:
undetectable		 1mjqG-3e9yA:
11.40
1mjqH-3e9yA:
11.40
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.
3eyk HEMAGGLUTININ HA1
CHAIN
HEMAGGLUTININ HA2
CHAIN

(Influenza A
virus;
Influenza A
virus) 		PF00509
(Hemagglutinin)
PF00509
(Hemagglutinin) 		5 GLU A  89
GLU B  67
ALA A 113
PHE A  87
GLY A 116
 None
 1.28A 1mjqG-3eykA:
undetectable
1mjqH-3eykA:
undetectable		 1mjqG-3eykA:
13.80
1mjqH-3eykA:
13.80
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.
3f6p TRANSCRIPTIONAL
REGULATORY PROTEIN
YYCF

(Bacillus
subtilis) 		PF00072
(Response_reg) 		5 GLU A  44
ALA A  38
LEU A   6
PRO A  47
ALA A  32
 None
 1.17A 1mjqG-3f6pA:
undetectable
1mjqH-3f6pA:
undetectable		 1mjqG-3f6pA:
22.73
1mjqH-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.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLU A 175
HIS A 141
LEU A 149
ALA A 143
PHE A 145
 None
 1.15A 1mjqG-3fpkA:
undetectable
1mjqH-3fpkA:
undetectable		 1mjqG-3fpkA:
15.94
1mjqH-3fpkA:
15.94
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.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ARG A 208
ALA A 195
PRO A 200
ALA A 220
GLY A 222
 None
 1.00A 1mjqG-3ihvA:
undetectable
1mjqH-3ihvA:
undetectable		 1mjqG-3ihvA:
12.73
1mjqH-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.
3jyn QUINONE
OXIDOREDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 142
ALA A 166
PRO A 211
PHE A 146
GLY A 170
 None
 1.18A 1mjqG-3jynA:
undetectable
1mjqH-3jynA:
undetectable		 1mjqG-3jynA:
14.81
1mjqH-3jynA:
14.81
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLU B 229
ALA B 146
LEU B  32
ALA B  42
PHE B  44
 None
 1.31A 1mjqG-3l7zB:
undetectable
1mjqH-3l7zB:
undetectable		 1mjqG-3l7zB:
19.11
1mjqH-3l7zB:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ARG B  87
ALA B 187
HIS B 186
ALA A 228
GLY A 313
 SRM  B 570 (-3.9A)
None
None
None
None
 1.08A 1mjqG-3mm5B:
undetectable
1mjqH-3mm5B:
undetectable		 1mjqG-3mm5B:
16.00
1mjqH-3mm5B:
16.00
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.
3oby PROTEIN PELOTA
HOMOLOG

(Archaeoglobus
fulgidus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 GLU A 272
ALA A 336
LEU A 256
ALA A 335
GLY A 333
 None
 1.19A 1mjqG-3obyA:
undetectable
1mjqH-3obyA:
undetectable		 1mjqG-3obyA:
14.70
1mjqH-3obyA:
14.70
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.
3oxn PUTATIVE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Vibrio
parahaemolyticus) 		PF03466
(LysR_substrate) 		5 ARG A 156
GLU A 164
ALA A 166
LEU A 150
ALA A 121
 None
 1.16A 1mjqG-3oxnA:
undetectable
1mjqH-3oxnA:
undetectable		 1mjqG-3oxnA:
18.93
1mjqH-3oxnA:
18.93
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 222
LEU A 252
PRO A 253
ALA A 214
PHE A 216
 None
 1.16A 1mjqG-3p5pA:
undetectable
1mjqH-3p5pA:
undetectable		 1mjqG-3p5pA:
9.40
1mjqH-3p5pA:
9.40
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 GLU A 259
ALA A 165
PRO A 234
PHE A 256
GLY A  91
 None
 1.32A 1mjqG-3qh4A:
undetectable
1mjqH-3qh4A:
undetectable		 1mjqG-3qh4A:
13.88
1mjqH-3qh4A:
13.88
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.
3qmj ENOYL-COA HYDRATASE,
ECHA8_6

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ALA A  34
LEU A  38
ALA A  89
PHE A  93
GLY A  92
 None
 1.22A 1mjqG-3qmjA:
undetectable
1mjqH-3qmjA:
undetectable		 1mjqG-3qmjA:
19.14
1mjqH-3qmjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 GLU A  82
LEU A   8
ALA A  85
PHE A  87
GLY A  89
 None
 1.30A 1mjqG-3qt3A:
undetectable
1mjqH-3qt3A:
undetectable		 1mjqG-3qt3A:
13.59
1mjqH-3qt3A:
13.59
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		6 GLU A  89
ARG A 269
GLU A 396
ALA A 113
PHE A  87
GLY A 116
 None
 1.30A 1mjqG-3wheA:
undetectable
1mjqH-3wheA:
undetectable		 1mjqG-3wheA:
12.03
1mjqH-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 226
HIS A  85
ALA A 201
PHE A 107
GLY A 106
 None
 1.13A 1mjqG-3wonA:
undetectable
1mjqH-3wonA:
undetectable		 1mjqG-3wonA:
9.02
1mjqH-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 GLU A 184
LEU A 144
PRO A 141
ALA A 159
GLY A 164
 None
 1.08A 1mjqG-3zs3A:
undetectable
1mjqH-3zs3A:
undetectable		 1mjqG-3zs3A:
17.41
1mjqH-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.
3zty MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Thermus
thermophilus) 		PF08282
(Hydrolase_3) 		5 GLU A  58
GLU A 139
ALA A 171
ALA A 172
GLY A 174
 None
 1.30A 1mjqG-3ztyA:
undetectable
1mjqH-3ztyA:
undetectable		 1mjqG-3ztyA:
17.70
1mjqH-3ztyA:
17.70
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.
4a26 PUTATIVE
C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC

(Leishmania
major) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLU A  19
GLU A 285
ALA A 281
ALA A  13
GLY A   9
 None
 1.33A 1mjqG-4a26A:
undetectable
1mjqH-4a26A:
undetectable		 1mjqG-4a26A:
19.93
1mjqH-4a26A:
19.93
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 GLU A 395
ARG A 237
GLU A 396
ALA A 376
GLY A 383
 None
 1.18A 1mjqG-4ap5A:
undetectable
1mjqH-4ap5A:
undetectable		 1mjqG-4ap5A:
12.50
1mjqH-4ap5A:
12.50
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLU A 183
ALA A 179
LEU A 188
ALA A 157
GLY A 328
 None
NAP  A 400 (-3.7A)
None
None
None
 1.29A 1mjqG-4b7xA:
undetectable
1mjqH-4b7xA:
undetectable		 1mjqG-4b7xA:
13.03
1mjqH-4b7xA:
13.03
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLU A  68
LEU A  83
ALA A  82
PHE A  81
GLY A 468
 SO4  A1820 ( 4.9A)
None
None
None
None
 1.13A 1mjqG-4b9yA:
undetectable
1mjqH-4b9yA:
undetectable		 1mjqG-4b9yA:
8.45
1mjqH-4b9yA:
8.45
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.
4buh CLONE M0418 SCFV

(Homo sapiens) 		PF07686
(V-set) 		5 GLU A 231
ALA A  97
LEU A  99
ALA A  35
GLY A  49
 None
 1.07A 1mjqG-4buhA:
undetectable
1mjqH-4buhA:
undetectable		 1mjqG-4buhA:
16.41
1mjqH-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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 GLU A 512
ALA A 509
ALA A 443
PHE A 445
GLY A 441
 None
None
EDO  A1526 (-3.7A)
None
EDO  A1526 (-3.7A)
 1.14A 1mjqG-4c1sA:
undetectable
1mjqH-4c1sA:
undetectable		 1mjqG-4c1sA:
15.24
1mjqH-4c1sA:
15.24
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.
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
 1.00A 1mjqG-4czxA:
undetectable
1mjqH-4czxA:
undetectable		 1mjqG-4czxA:
12.18
1mjqH-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.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		5 GLU A 329
GLU A 322
ALA A 321
LEU A 361
GLY A 192
 None
 1.25A 1mjqG-4f3eA:
undetectable
1mjqH-4f3eA:
undetectable		 1mjqG-4f3eA:
11.16
1mjqH-4f3eA:
11.16
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.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		5 GLU B  52
ALA B  53
LEU B  58
PRO B  59
ALA B  12
 None
None
None
ATP  B 402 ( 4.9A)
None
 1.19A 1mjqG-4fwiB:
undetectable
1mjqH-4fwiB:
undetectable		 1mjqG-4fwiB:
16.30
1mjqH-4fwiB:
16.30
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.
4i66 UNCHARACTERIZED
PROTEIN HOCH_4089

(Haliangium
ochraceum) 		PF13709
(DUF4159) 		5 GLU A  57
ARG A  61
GLU A 219
ALA A 221
ALA A 197
 None
 1.27A 1mjqG-4i66A:
undetectable
1mjqH-4i66A:
undetectable		 1mjqG-4i66A:
19.90
1mjqH-4i66A:
19.90
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 ALA A 232
LEU A 318
PRO A 319
PHE A 220
GLY A 228
 None
 1.32A 1mjqG-4mfzA:
undetectable
1mjqH-4mfzA:
undetectable		 1mjqG-4mfzA:
17.21
1mjqH-4mfzA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		5 ARG A 246
GLU A  55
ALA A 117
ALA A 114
GLY A 166
 TRS  A 402 ( 4.2A)
TRS  A 402 (-3.3A)
TRS  A 402 ( 4.8A)
TRS  A 402 (-3.4A)
None
 1.31A 1mjqG-4q2bA:
undetectable
1mjqH-4q2bA:
undetectable		 1mjqG-4q2bA:
15.04
1mjqH-4q2bA:
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.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 ARG A 103
GLU A  52
LEU A  65
PRO A  66
GLY A 108
 None
 1.33A 1mjqG-4r81A:
undetectable
1mjqH-4r81A:
undetectable		 1mjqG-4r81A:
18.18
1mjqH-4r81A:
18.18
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.
4s37 PHAGE BASEPLATE
PROTEIN

(Pseudomonas
aeruginosa) 		PF04717
(Phage_base_V) 		5 ALA A  13
LEU A  17
PRO A  18
ALA A  14
GLY A  73
 None
 1.15A 1mjqG-4s37A:
undetectable
1mjqH-4s37A:
undetectable		 1mjqG-4s37A:
20.44
1mjqH-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.
4uup MALATE DEHYDROGENASE

(synthetic
construct) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLU A 323
ALA A 327
LEU A 101
ALA A 105
PHE A 108
 None
 1.25A 1mjqG-4uupA:
undetectable
1mjqH-4uupA:
undetectable		 1mjqG-4uupA:
16.00
1mjqH-4uupA:
16.00
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.
4uup MALATE DEHYDROGENASE

(synthetic
construct) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLU A 323
ALA A 327
LEU A 101
PHE A 108
GLY A 106
 None
 1.25A 1mjqG-4uupA:
undetectable
1mjqH-4uupA:
undetectable		 1mjqG-4uupA:
16.00
1mjqH-4uupA:
16.00
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.
4xij SHIKIMATE
5-DEHYDROGENASE

(Mycolicibacterium
fortuitum) 		PF08501
(Shikimate_dh_N) 		5 GLU A 233
ALA A 189
LEU A 114
ALA A 188
GLY A 118
 None
 1.24A 1mjqG-4xijA:
undetectable
1mjqH-4xijA:
undetectable		 1mjqG-4xijA:
18.50
1mjqH-4xijA:
18.50
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.
4y81 PROTEASOME SUBUNIT
BETA TYPE-6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA L 191
HIS L 195
LEU L 145
ALA L 142
GLY L 140
 None
 1.30A 1mjqG-4y81L:
undetectable
1mjqH-4y81L:
undetectable		 1mjqG-4y81L:
16.44
1mjqH-4y81L:
16.44
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.
4yer ABC TRANSPORTER
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF13732
(DUF4162) 		5 GLU A 198
ALA A 199
LEU A 191
PRO A 162
ALA A  34
 None
 1.26A 1mjqG-4yerA:
undetectable
1mjqH-4yerA:
undetectable		 1mjqG-4yerA:
15.95
1mjqH-4yerA:
15.95
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.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		5 GLU A 214
LEU A 165
PRO A 166
ALA A 192
GLY A 188
 None
 1.13A 1mjqG-4ywcA:
undetectable
1mjqH-4ywcA:
undetectable		 1mjqG-4ywcA:
15.97
1mjqH-4ywcA:
15.97
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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 5 ALA A 570
LEU A 528
PRO A 529
ALA A 552
GLY A 554
 None
None
None
None
FMN  A 900 (-3.2A)
 1.30A 1mjqG-4z38A:
undetectable
1mjqH-4z38A:
undetectable		 1mjqG-4z38A:
13.53
1mjqH-4z38A:
13.53
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 LEU A 220
PRO A 221
ALA A 150
PHE A 148
GLY A 152
 None
 1.31A 1mjqG-5cx8A:
undetectable
1mjqH-5cx8A:
undetectable		 1mjqG-5cx8A:
11.64
1mjqH-5cx8A:
11.64
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 GLU A 208
GLU A 202
ALA A 199
LEU A  51
GLY A 191
 None
 1.32A 1mjqG-5f56A:
undetectable
1mjqH-5f56A:
undetectable		 1mjqG-5f56A:
9.45
1mjqH-5f56A:
9.45
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		5 GLU A  51
ALA A  47
PRO A 101
ALA A 109
GLY A 112
 None
 1.13A 1mjqG-5fswA:
undetectable
1mjqH-5fswA:
undetectable		 1mjqG-5fswA:
8.06
1mjqH-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.
5g52 VP1
VP2

(Deformed wing
virus;
Deformed wing
virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv) 		5 GLU B 173
ALA B 137
LEU B 176
ALA B 164
GLY A   1
 None
 1.04A 1mjqG-5g52B:
undetectable
1mjqH-5g52B:
undetectable		 1mjqG-5g52B:
16.80
1mjqH-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.
5hba UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00386
(C1q) 		5 ALA A  56
LEU A  64
PRO A 108
PHE A 126
GLY A  93
 None
 1.23A 1mjqG-5hbaA:
undetectable
1mjqH-5hbaA:
undetectable		 1mjqG-5hbaA:
19.85
1mjqH-5hbaA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLU A 384
ALA A 383
LEU A 408
PRO A 409
GLY A 369
 None
 1.23A 1mjqG-5htvA:
undetectable
1mjqH-5htvA:
undetectable		 1mjqG-5htvA:
13.54
1mjqH-5htvA:
13.54
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.
5hz7 COMP

(Neisseria
meningitidis) 		PF13416
(SBP_bac_8)
PF16732
(ComP_DUS) 		5 GLU A 389
ALA A 386
PRO A 415
ALA A 419
GLY A 421
 None
 1.33A 1mjqG-5hz7A:
undetectable
1mjqH-5hz7A:
undetectable		 1mjqG-5hz7A:
12.13
1mjqH-5hz7A:
12.13
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 LEU A 562
PRO A 565
ALA A 560
PHE A 468
GLY A 452
 None
 1.33A 1mjqG-5hzwA:
undetectable
1mjqH-5hzwA:
undetectable		 1mjqG-5hzwA:
10.14
1mjqH-5hzwA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j36 BEAK AND FEATHER
DISEASE VIRUS CAPSID
PROTEIN

(Beak and
feather disease
virus) 		no annotation 5 ALA E 215
LEU E 147
PRO E 146
ALA E 126
GLY E 152
 None
 1.20A 1mjqG-5j36E:
undetectable
1mjqH-5j36E:
undetectable		 1mjqG-5j36E:
18.99
1mjqH-5j36E:
18.99
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.
5mt2 BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLU A 154
ALA A 163
LEU A 165
ALA A 160
GLY A 157
 None
 1.27A 1mjqG-5mt2A:
undetectable
1mjqH-5mt2A:
undetectable		 1mjqG-5mt2A:
14.44
1mjqH-5mt2A:
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.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 ARG A 442
ALA A 366
LEU A 383
ALA A 374
GLY A 376
 None
 1.33A 1mjqG-5ti8A:
undetectable
1mjqH-5ti8A:
undetectable		 1mjqG-5ti8A:
12.91
1mjqH-5ti8A:
12.91
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.
5x2v L-METHIONINE
GAMMA-LYASE

(Pseudomonas
putida) 		PF01053
(Cys_Met_Meta_PP) 		5 ARG A 235
GLU A  71
ALA A  72
ALA A  75
GLY A  79
 None
 1.12A 1mjqG-5x2vA:
undetectable
1mjqH-5x2vA:
undetectable		 1mjqG-5x2vA:
12.81
1mjqH-5x2vA:
12.81
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6) 		5 GLU C  67
ALA C  91
PRO C 161
ALA C  96
GLY C  99
 SF4  C 201 ( 3.6A)
None
None
None
None
 1.13A 1mjqG-5xfaC:
undetectable
1mjqH-5xfaC:
undetectable		 1mjqG-5xfaC:
21.08
1mjqH-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.
5xl2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLU A  85
GLU A 394
ALA A 109
PHE A  83
GLY A 112
 None
 1.27A 1mjqG-5xl2A:
undetectable
1mjqH-5xl2A:
undetectable		 1mjqG-5xl2A:
12.74
1mjqH-5xl2A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ALA C 687
LEU C 767
PRO C 203
ALA C 749
GLY C 747
 None
 1.30A 1mjqG-5y6qC:
undetectable
1mjqH-5y6qC:
undetectable		 1mjqG-5y6qC:
undetectable
1mjqH-5y6qC:
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 GLU A 143
ARG A 140
ALA A 277
PHE A 137
GLY A 110
 None
 1.27A 1mjqG-5yhpA:
undetectable
1mjqH-5yhpA:
undetectable		 1mjqG-5yhpA:
14.33
1mjqH-5yhpA:
14.33
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 ALA C 706
LEU C 731
PRO C 730
ALA C 749
GLY C 751
 None
 1.29A 1mjqG-5zyaC:
undetectable
1mjqH-5zyaC:
undetectable		 1mjqG-5zyaC:
undetectable
1mjqH-5zyaC:
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 GLU A 188
GLU A 178
ALA A 177
ALA A 114
PHE A 113
 None
None
None
None
EZA  A 402 ( 4.6A)
 1.17A 1mjqG-6cfdA:
undetectable
1mjqH-6cfdA:
undetectable		 1mjqG-6cfdA:
undetectable
1mjqH-6cfdA:
undetectable