SIMILAR PATTERNS OF AMINO ACIDS FOR 1IG3_B_VIBB501_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Phytolacca
americana) 		PF00161
(RIP) 		4 ASP A 252
LEU A 231
SER A 211
ASN A 207
 None
 1.16A 1ig3A-1apaA:
undetectable
1ig3B-1apaA:
undetectable		 1ig3A-1apaA:
20.96
1ig3B-1apaA:
20.96
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 GLN A 333
ASP A 416
LEU A 321
SER A 328
 None
 1.23A 1ig3A-1c0aA:
undetectable
1ig3B-1c0aA:
undetectable		 1ig3A-1c0aA:
18.94
1ig3B-1c0aA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fng PROTEIN (MHC CLASS
II I-EK, BETA CHAIN)

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 GLN B 156
ASP B 121
LEU B 180
SER B 118
 None
 1.19A 1ig3A-1fngB:
undetectable
1ig3B-1fngB:
undetectable		 1ig3A-1fngB:
22.97
1ig3B-1fngB:
22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 TRP A 270
SER A 285
SER A 287
ASN A 288
 None
 0.19A 1ig3A-1ig0A:
25.7
1ig3B-1ig0A:
26.0		 1ig3A-1ig0A:
31.36
1ig3B-1ig0A:
31.36
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.
1ivl IGG-KAPPA M29B FV
(LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 ASP A  82
SER A  18
SER A  74
ASN A  76
 None
 1.11A 1ig3A-1ivlA:
undetectable
1ig3B-1ivlA:
undetectable		 1ig3A-1ivlA:
16.60
1ig3B-1ivlA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  98
SER B  95
SER B  30
ASN B  31
 None
 1.00A 1ig3A-1nfdB:
undetectable
1ig3B-1nfdB:
undetectable		 1ig3A-1nfdB:
20.29
1ig3B-1nfdB:
20.29
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLN A1017
ASP A1331
LEU A 331
SER A 366
 None
 1.25A 1ig3A-1ofeA:
undetectable
1ig3B-1ofeA:
0.3		 1ig3A-1ofeA:
10.88
1ig3B-1ofeA:
10.88
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU B 309
SER B 259
SER B 261
ASN B 260
 None
 1.25A 1ig3A-1sb3B:
undetectable
1ig3B-1sb3B:
undetectable		 1ig3A-1sb3B:
23.56
1ig3B-1sb3B:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5c CENTROMERIC PROTEIN
E

(Homo sapiens) 		PF00225
(Kinesin) 		4 GLN A 115
ASP A 112
LEU A 211
SER A 175
 None
 1.08A 1ig3A-1t5cA:
undetectable
1ig3B-1t5cA:
undetectable		 1ig3A-1t5cA:
19.78
1ig3B-1t5cA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tnd TRANSDUCIN

(Bos taurus) 		PF00503
(G-alpha) 		4 GLN A 168
ASP A 169
LEU A 155
SER A 147
 None
None
None
GSP  A 351 (-3.3A)
 0.94A 1ig3A-1tndA:
2.8
1ig3B-1tndA:
2.9		 1ig3A-1tndA:
20.24
1ig3B-1tndA:
20.24
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.
1uar RHODANESE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		4 GLN A 116
ASP A 212
LEU A   9
ASN A  90
 None
 1.19A 1ig3A-1uarA:
undetectable
1ig3B-1uarA:
undetectable		 1ig3A-1uarA:
23.05
1ig3B-1uarA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 GLN A 135
ASP A 246
SER A  11
ASN A  12
 None
 1.02A 1ig3A-1vm7A:
2.8
1ig3B-1vm7A:
3.8		 1ig3A-1vm7A:
24.36
1ig3B-1vm7A:
24.36
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		4 GLN A  23
ASP A  19
TRP A  22
SER A  13
 None
 1.25A 1ig3A-2a5hA:
undetectable
1ig3B-2a5hA:
undetectable		 1ig3A-2a5hA:
21.39
1ig3B-2a5hA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buk COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF03898
(TNV_CP) 		4 LEU A  47
SER A 186
SER A  34
ASN A  33
 None
 1.13A 1ig3A-2bukA:
3.0
1ig3B-2bukA:
3.4		 1ig3A-2bukA:
22.88
1ig3B-2bukA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 197
ASP A 245
LEU A 299
SER A  22
 None
MN  A 400 ( 3.1A)
None
None
 1.12A 1ig3A-2chrA:
undetectable
1ig3B-2chrA:
undetectable		 1ig3A-2chrA:
22.28
1ig3B-2chrA:
22.28
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.
2d3r LECTIN ALPHA CHAIN

(Cratylia
argentea) 		PF00139
(Lectin_legB) 		4 ASP A 207
SER A 166
SER A 168
ASN A 167
 None
 1.18A 1ig3A-2d3rA:
2.7
1ig3B-2d3rA:
2.8		 1ig3A-2d3rA:
22.79
1ig3B-2d3rA:
22.79
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.
2dqi LYSOZYME BINDING IG
KAPPA CHAIN V23-J2
REGION

(Mus musculus) 		PF07686
(V-set) 		4 ASP L  82
SER L  18
SER L  74
ASN L  76
 None
 1.25A 1ig3A-2dqiL:
undetectable
1ig3B-2dqiL:
undetectable		 1ig3A-2dqiL:
15.59
1ig3B-2dqiL:
15.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.21A 1ig3A-2f17A:
42.0
1ig3B-2f17A:
41.5		 1ig3A-2f17A:
100.00
1ig3B-2f17A:
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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 GLN A  62
LEU A  69
SER A 110
ASN A 112
 None
 1.12A 1ig3A-2ft3A:
undetectable
1ig3B-2ft3A:
undetectable		 1ig3A-2ft3A:
21.13
1ig3B-2ft3A:
21.13
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.
2ik8 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I),
ALPHA-1 SUBUNIT

(Homo sapiens) 		PF00503
(G-alpha) 		4 GLN A 172
ASP A 173
LEU A 159
SER A 151
 None
None
None
GDP  A 401 (-3.6A)
 0.95A 1ig3A-2ik8A:
undetectable
1ig3B-2ik8A:
2.8		 1ig3A-2ik8A:
20.72
1ig3B-2ik8A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lqj MG2+ TRANSPORT
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 GLN A 169
LEU A 207
SER A 172
ASN A 174
 None
 1.15A 1ig3A-2lqjA:
undetectable
1ig3B-2lqjA:
undetectable		 1ig3A-2lqjA:
19.60
1ig3B-2lqjA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 ASP A 389
SER A 396
SER A 280
ASN A 285
 None
 1.23A 1ig3A-2po4A:
undetectable
1ig3B-2po4A:
undetectable		 1ig3A-2po4A:
12.79
1ig3B-2po4A:
12.79
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A  51
LEU A 493
SER A  92
ASN A  91
 None
 1.15A 1ig3A-2qt6A:
undetectable
1ig3B-2qt6A:
undetectable		 1ig3A-2qt6A:
20.20
1ig3B-2qt6A:
20.20
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		4 GLN A 282
SER A 375
SER A 301
ASN A 284
 None
 1.22A 1ig3A-2qzpA:
2.1
1ig3B-2qzpA:
2.2		 1ig3A-2qzpA:
19.74
1ig3B-2qzpA:
19.74
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.
2rcc RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
halodurans) 		PF00268
(Ribonuc_red_sm) 		4 ASP A 104
SER A  27
SER A  15
ASN A  16
 None
 1.19A 1ig3A-2rccA:
undetectable
1ig3B-2rccA:
undetectable		 1ig3A-2rccA:
23.80
1ig3B-2rccA:
23.80
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.
2vk9 ALPHA-TOXIN

(Clostridium
novyi) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 ASP A 268
LEU A 526
SER A 470
ASN A 469
 None
 1.21A 1ig3A-2vk9A:
undetectable
1ig3B-2vk9A:
undetectable		 1ig3A-2vk9A:
19.03
1ig3B-2vk9A:
19.03
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.
2wau ERYTHROCYTE MEMBRANE
PROTEIN 1 (PFEMP1)

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 GLN A2575
LEU A2605
SER A2571
ASN A2573
 None
 1.15A 1ig3A-2wauA:
undetectable
1ig3B-2wauA:
undetectable		 1ig3A-2wauA:
16.20
1ig3B-2wauA:
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		4 GLN A  19
LEU A 158
SER A 247
SER A  73
 None
 1.16A 1ig3A-2wknA:
3.0
1ig3B-2wknA:
2.8		 1ig3A-2wknA:
21.00
1ig3B-2wknA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		4 ASP A 232
LEU A 171
SER A 205
ASN A 208
 LBT  A2000 ( 2.9A)
None
None
None
 1.21A 1ig3A-2z4tA:
3.9
1ig3B-2z4tA:
3.9		 1ig3A-2z4tA:
17.33
1ig3B-2z4tA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 GLN B 380
LEU B 387
SER B 431
ASN B 433
 NAG  A 831 ( 3.8A)
None
NAG  A 831 (-3.6A)
None
 1.10A 1ig3A-2z7xB:
undetectable
1ig3B-2z7xB:
undetectable		 1ig3A-2z7xB:
20.08
1ig3B-2z7xB:
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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 GLN B 380
LEU B 387
SER B 432
ASN B 433
 NAG  A 831 ( 3.8A)
None
NAG  A 833 ( 3.9A)
None
 1.01A 1ig3A-2z7xB:
undetectable
1ig3B-2z7xB:
undetectable		 1ig3A-2z7xB:
20.08
1ig3B-2z7xB:
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.
2znw SCFV10

(Mus musculus;
synthetic
construct) 		PF07686
(V-set) 		4 ASP A  82
SER A  18
SER A  74
ASN A  76
 None
 1.15A 1ig3A-2znwA:
undetectable
1ig3B-2znwA:
undetectable		 1ig3A-2znwA:
21.23
1ig3B-2znwA:
21.23
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.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		4 GLN X 177
ASP X 178
LEU X 211
SER X 161
 None
 1.24A 1ig3A-3a8uX:
1.5
1ig3B-3a8uX:
undetectable		 1ig3A-3a8uX:
18.60
1ig3B-3a8uX:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7k GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA

(Mus musculus) 		PF00503
(G-alpha) 		4 GLN A 173
ASP A 174
LEU A 160
SER A 152
 None
None
None
GDP  A 361 (-3.2A)
 0.92A 1ig3A-3c7kA:
undetectable
1ig3B-3c7kA:
2.3		 1ig3A-3c7kA:
21.70
1ig3B-3c7kA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLN A 408
ASP A 407
LEU A 292
SER A 403
 None
 1.17A 1ig3A-3dwbA:
undetectable
1ig3B-3dwbA:
undetectable		 1ig3A-3dwbA:
17.65
1ig3B-3dwbA:
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.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		4 ASP A 594
TRP A 593
SER A  64
ASN A  93
 None
None
NAG  A   1 (-2.9A)
NAG  A   1 (-2.1A)
 1.12A 1ig3A-3fgwA:
undetectable
1ig3B-3fgwA:
undetectable		 1ig3A-3fgwA:
18.88
1ig3B-3fgwA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Schizosaccharomyces
pombe) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		4 GLN J  41
SER C 235
SER C  16
ASN C  15
 None
 1.25A 1ig3A-3h0gJ:
undetectable
1ig3B-3h0gJ:
undetectable		 1ig3A-3h0gJ:
13.39
1ig3B-3h0gJ:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 GLN A  55
LEU A  46
SER A  92
ASN A  94
 None
 1.09A 1ig3A-3hn5A:
undetectable
1ig3B-3hn5A:
undetectable		 1ig3A-3hn5A:
22.26
1ig3B-3hn5A:
22.26
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		4 GLN A  45
LEU A  50
SER A  34
SER A  36
 G  B  16 ( 4.3A)
None
None
None
 1.11A 1ig3A-3htxA:
2.5
1ig3B-3htxA:
2.9		 1ig3A-3htxA:
15.66
1ig3B-3htxA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		4 ASP A 217
LEU A  20
SER A 100
ASN A 101
 None
 1.01A 1ig3A-3hzuA:
undetectable
1ig3B-3hzuA:
undetectable		 1ig3A-3hzuA:
23.96
1ig3B-3hzuA:
23.96
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.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 GLN A 391
ASP A 392
SER A 516
SER A 386
 None
 1.25A 1ig3A-3ib3A:
undetectable
1ig3B-3ib3A:
2.4		 1ig3A-3ib3A:
17.47
1ig3B-3ib3A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilr HEPARIN LYASE I

(Bacteroides
thetaiotaomicron) 		PF14099
(Polysacc_lyase) 		4 ASP A 254
SER A 276
SER A 244
ASN A 243
 None
None
None
SGN  A 377 (-3.5A)
 1.23A 1ig3A-3ilrA:
undetectable
1ig3B-3ilrA:
undetectable		 1ig3A-3ilrA:
20.26
1ig3B-3ilrA:
20.26
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 GLN K 372
LEU K 421
SER K 375
ASN K 374
 None
 1.21A 1ig3A-3jblK:
undetectable
1ig3B-3jblK:
undetectable		 1ig3A-3jblK:
15.82
1ig3B-3jblK:
15.82
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		4 ASP A  84
LEU A 317
SER A 289
ASN A 337
 None
None
ACT  A 396 ( 4.6A)
None
 1.01A 1ig3A-3kizA:
undetectable
1ig3B-3kizA:
undetectable		 1ig3A-3kizA:
20.79
1ig3B-3kizA:
20.79
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.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 GLN A 100
ASP A 101
LEU A 117
SER A  98
 None
 1.18A 1ig3A-3l9yA:
undetectable
1ig3B-3l9yA:
undetectable		 1ig3A-3l9yA:
19.77
1ig3B-3l9yA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 GLN A 315
LEU A 341
SER A 422
SER A 329
 None
 1.05A 1ig3A-3lk7A:
undetectable
1ig3B-3lk7A:
4.5		 1ig3A-3lk7A:
20.04
1ig3B-3lk7A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m9u FARNESYL-DIPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 GLN A  34
LEU A 122
SER A  42
ASN A 106
 None
None
GOL  A 310 (-3.4A)
None
 1.26A 1ig3A-3m9uA:
undetectable
1ig3B-3m9uA:
undetectable		 1ig3A-3m9uA:
22.12
1ig3B-3m9uA:
22.12
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 GLN A 246
ASP A 228
LEU A 216
SER A 248
 None
 1.26A 1ig3A-3n05A:
2.0
1ig3B-3n05A:
2.4		 1ig3A-3n05A:
18.97
1ig3B-3n05A:
18.97
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.
3oev PROTEASOME COMPONENT
Y13

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 ASP B 118
SER B 154
SER B 151
ASN B 156
 None
 0.92A 1ig3A-3oevB:
undetectable
1ig3B-3oevB:
undetectable		 1ig3A-3oevB:
22.15
1ig3B-3oevB:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		4 GLN A 675
ASP A 673
SER A 454
ASN A 455
 None
 1.23A 1ig3A-3poyA:
undetectable
1ig3B-3poyA:
undetectable		 1ig3A-3poyA:
13.88
1ig3B-3poyA:
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		4 ASP A 227
LEU A 390
SER A 416
SER A 466
 None
 1.18A 1ig3A-3pt1A:
undetectable
1ig3B-3pt1A:
undetectable		 1ig3A-3pt1A:
21.19
1ig3B-3pt1A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvo NMRA FAMILY PROTEIN

(Shigella
flexneri) 		PF13460
(NAD_binding_10) 		4 GLN A  82
ASP A  78
SER A  85
ASN A  84
 None
 1.16A 1ig3A-3qvoA:
3.3
1ig3B-3qvoA:
3.2		 1ig3A-3qvoA:
24.32
1ig3B-3qvoA:
24.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 TRP A 202
LEU A 204
SER A 216
SER A 218
ASN A 219
 None
 0.21A 1ig3A-3s4yA:
35.1
1ig3B-3s4yA:
35.6		 1ig3A-3s4yA:
82.20
1ig3B-3s4yA:
82.20
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 GLN A 463
LEU A 519
SER A 460
ASN A 490
 None
 1.16A 1ig3A-3t6qA:
undetectable
1ig3B-3t6qA:
undetectable		 1ig3A-3t6qA:
16.78
1ig3B-3t6qA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 ASP A 472
LEU A 609
SER A 465
ASN A 623
 None
 1.17A 1ig3A-3txoA:
undetectable
1ig3B-3txoA:
undetectable		 1ig3A-3txoA:
21.43
1ig3B-3txoA:
21.43
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.
3uca GERANYLTRANSTRANSFER
ASE

(Clostridium
perfringens) 		PF00348
(polyprenyl_synt) 		4 ASP A  41
LEU A 124
SER A  46
ASN A 108
 None
 1.12A 1ig3A-3ucaA:
undetectable
1ig3B-3ucaA:
undetectable		 1ig3A-3ucaA:
23.19
1ig3B-3ucaA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ups IOJAP-LIKE PROTEIN

(Zymomonas
mobilis) 		PF02410
(RsfS) 		4 GLN A  60
ASP A  30
LEU A  93
SER A  54
 None
 1.09A 1ig3A-3upsA:
undetectable
1ig3B-3upsA:
undetectable		 1ig3A-3upsA:
20.77
1ig3B-3upsA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		4 ASP A  58
LEU A  11
SER A 255
SER A 109
 None
 1.20A 1ig3A-3vv3A:
2.4
1ig3B-3vv3A:
2.3		 1ig3A-3vv3A:
20.30
1ig3B-3vv3A:
20.30
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.
3ww0 PROTEIN HIKESHI

(Homo sapiens) 		PF05603
(DUF775) 		4 ASP B 136
LEU B 193
SER B 133
ASN B 129
 None
 1.15A 1ig3A-3ww0B:
undetectable
1ig3B-3ww0B:
2.5		 1ig3A-3ww0B:
18.70
1ig3B-3ww0B:
18.70
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.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 4 ASP A 259
LEU A 311
SER A 254
SER A 252
 None
 1.00A 1ig3A-4aw7A:
2.3
1ig3B-4aw7A:
3.7		 1ig3A-4aw7A:
20.78
1ig3B-4aw7A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 GLN A 378
TRP A 473
SER A 486
SER A 490
 None
 1.23A 1ig3A-4bx9A:
2.3
1ig3B-4bx9A:
2.7		 1ig3A-4bx9A:
18.00
1ig3B-4bx9A:
18.00
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 235
SER A 233
SER A 231
ASN A 365
 None
 1.14A 1ig3A-4dy0A:
undetectable
1ig3B-4dy0A:
undetectable		 1ig3A-4dy0A:
21.94
1ig3B-4dy0A:
21.94
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A 363
LEU A 111
SER A  15
SER A  18
 None
 1.24A 1ig3A-4epaA:
undetectable
1ig3B-4epaA:
undetectable		 1ig3A-4epaA:
20.09
1ig3B-4epaA:
20.09
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.
4fc9 UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		no annotation 4 ASP B 603
LEU B 533
SER B 514
ASN B 506
 None
 1.22A 1ig3A-4fc9B:
undetectable
1ig3B-4fc9B:
undetectable		 1ig3A-4fc9B:
26.28
1ig3B-4fc9B:
26.28
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.
4fle ESTERASE

(Yersinia
enterocolitica) 		PF05728
(UPF0227) 		4 GLN A  40
LEU A 118
SER A  13
ASN A  12
 None
 0.96A 1ig3A-4fleA:
undetectable
1ig3B-4fleA:
undetectable		 1ig3A-4fleA:
21.29
1ig3B-4fleA:
21.29
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.
4gz2 TYROSYL-DNA
PHOSPHODIESTERASE 2

(Mus musculus) 		PF03372
(Exo_endo_phos) 		4 ASP A 156
LEU A 337
SER A 224
ASN A 228
 None
 1.23A 1ig3A-4gz2A:
undetectable
1ig3B-4gz2A:
undetectable		 1ig3A-4gz2A:
23.59
1ig3B-4gz2A:
23.59
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.
4h5s CYTOTOXIC AND
REGULATORY T-CELL
MOLECULE

(Homo sapiens) 		PF07686
(V-set) 		4 GLN A  74
ASP A  75
LEU A  49
SER A  37
 None
 1.02A 1ig3A-4h5sA:
undetectable
1ig3B-4h5sA:
undetectable		 1ig3A-4h5sA:
17.44
1ig3B-4h5sA:
17.44
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		4 ASP A  99
LEU A  71
SER A 377
SER A 110
 None
 1.16A 1ig3A-4hhrA:
undetectable
1ig3B-4hhrA:
undetectable		 1ig3A-4hhrA:
19.66
1ig3B-4hhrA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1g MURINE IGG2A A27D7
HEAVY CHAIN FAB
DOMAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  89
SER H  84
SER H  17
ASN H  83
 None
 1.23A 1ig3A-4m1gH:
undetectable
1ig3B-4m1gH:
undetectable		 1ig3A-4m1gH:
21.43
1ig3B-4m1gH:
21.43
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.
4mn7 PUTATIVE
UNCHARACTERIZED
PROTEIN TA0848

(Thermoplasma
acidophilum) 		PF13185
(GAF_2) 		4 GLN A  89
ASP A  74
LEU A  59
SER A 110
 None
 1.23A 1ig3A-4mn7A:
undetectable
1ig3B-4mn7A:
undetectable		 1ig3A-4mn7A:
20.31
1ig3B-4mn7A:
20.31
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		4 ASP A 204
LEU A 284
SER A 250
ASN A 179
 None
None
None
MG  A 402 (-2.8A)
 1.15A 1ig3A-4qdgA:
undetectable
1ig3B-4qdgA:
undetectable		 1ig3A-4qdgA:
22.29
1ig3B-4qdgA:
22.29
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP A  95
LEU A  84
SER A 124
ASN A 127
 None
 0.86A 1ig3A-4rvwA:
undetectable
1ig3B-4rvwA:
undetectable		 1ig3A-4rvwA:
17.66
1ig3B-4rvwA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyk NTF2-RELATED EXPORT
PROTEIN 1
NUCLEAR RNA EXPORT
FACTOR 1

(Homo sapiens) 		PF02136
(NTF2) 		4 GLN B 136
ASP B 137
LEU A 370
SER B  98
 None
 1.18A 1ig3A-4wykB:
undetectable
1ig3B-4wykB:
undetectable		 1ig3A-4wykB:
18.25
1ig3B-4wykB:
18.25
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		4 GLN D 169
ASP D 166
LEU D 129
SER D  51
 None
 1.06A 1ig3A-4xgcD:
undetectable
1ig3B-4xgcD:
undetectable		 1ig3A-4xgcD:
20.00
1ig3B-4xgcD:
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 4 ASP E 258
LEU E 293
SER E 263
ASN E 318
 None
 1.24A 1ig3A-4xmmE:
undetectable
1ig3B-4xmmE:
undetectable		 1ig3A-4xmmE:
15.04
1ig3B-4xmmE:
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.
4yis MEGANUCLEASE I-CPAMI

(Cryphonectria
parasitica) 		PF00961
(LAGLIDADG_1) 		4 GLN A  74
LEU A  11
SER A  15
SER A  20
 None
 1.21A 1ig3A-4yisA:
undetectable
1ig3B-4yisA:
undetectable		 1ig3A-4yisA:
19.74
1ig3B-4yisA:
19.74
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.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		4 ASP A  64
SER A 104
SER A 106
ASN A 107
 None
 1.17A 1ig3A-5b0nA:
undetectable
1ig3B-5b0nA:
undetectable		 1ig3A-5b0nA:
21.32
1ig3B-5b0nA:
21.32
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ASP A 617
LEU A 176
SER A 591
ASN A 590
 None
 1.05A 1ig3A-5djwA:
undetectable
1ig3B-5djwA:
undetectable		 1ig3A-5djwA:
16.50
1ig3B-5djwA:
16.50
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		4 GLN A 288
ASP A  54
LEU A 393
SER A 293
 None
 1.19A 1ig3A-5ei0A:
undetectable
1ig3B-5ei0A:
undetectable		 1ig3A-5ei0A:
23.50
1ig3B-5ei0A:
23.50
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 GLN A 371
ASP A 370
SER A 367
ASN A 377
 None
None
None
MG  A1102 (-2.6A)
 1.24A 1ig3A-5f7uA:
2.7
1ig3B-5f7uA:
3.1		 1ig3A-5f7uA:
12.26
1ig3B-5f7uA:
12.26
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLN B 459
ASP B 460
LEU B 101
ASN B 483
 KR0  B1985 (-3.6A)
None
None
None
 1.26A 1ig3A-5fq6B:
undetectable
1ig3B-5fq6B:
undetectable		 1ig3A-5fq6B:
14.81
1ig3B-5fq6B:
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 GLN I 352
LEU I 284
SER I 323
ASN I 328
 None
 1.25A 1ig3A-5furI:
undetectable
1ig3B-5furI:
undetectable		 1ig3A-5furI:
12.06
1ig3B-5furI:
12.06
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 GLN I 662
ASP I 658
LEU I 399
SER I 665
 None
 1.26A 1ig3A-5furI:
undetectable
1ig3B-5furI:
undetectable		 1ig3A-5furI:
12.06
1ig3B-5furI:
12.06
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		4 ASP A 385
SER A 373
SER A 391
ASN A 390
 None
None
None
NDP  A 601 ( 4.5A)
 1.17A 1ig3A-5ktkA:
undetectable
1ig3B-5ktkA:
2.5		 1ig3A-5ktkA:
17.62
1ig3B-5ktkA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		4 GLN A 417
ASP A 418
LEU A 524
SER A 412
 None
 1.19A 1ig3A-5kztA:
undetectable
1ig3B-5kztA:
undetectable		 1ig3A-5kztA:
19.84
1ig3B-5kztA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lfn CHONDROADHERIN

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 GLN A  59
LEU A  66
SER A 107
ASN A 109
 None
 1.19A 1ig3A-5lfnA:
undetectable
1ig3B-5lfnA:
undetectable		 1ig3A-5lfnA:
21.04
1ig3B-5lfnA:
21.04
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.
5lvc VP1

(Aichivirus A) 		no annotation 4 ASP a 211
LEU a 202
SER a 110
ASN a 111
 None
 0.93A 1ig3A-5lvca:
3.2
1ig3B-5lvca:
undetectable		 1ig3A-5lvca:
23.37
1ig3B-5lvca:
23.37
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 TRP A 400
LEU A 335
SER A 402
ASN A  54
 None
 1.15A 1ig3A-5mqsA:
undetectable
1ig3B-5mqsA:
undetectable		 1ig3A-5mqsA:
13.72
1ig3B-5mqsA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oup PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 4 ASP A 474
SER A 565
SER A 563
ASN A 562
 None
 1.25A 1ig3A-5oupA:
undetectable
1ig3B-5oupA:
undetectable		 1ig3A-5oupA:
14.18
1ig3B-5oupA:
14.18
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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		4 LEU A  45
SER A  66
SER A 510
ASN A  68
 None
 1.15A 1ig3A-5tj3A:
2.1
1ig3B-5tj3A:
2.0		 1ig3A-5tj3A:
19.02
1ig3B-5tj3A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj7 ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Homo sapiens) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		4 GLN C 181
ASP C 178
LEU C 140
SER C  62
 None
 1.23A 1ig3A-5uj7C:
undetectable
1ig3B-5uj7C:
undetectable		 1ig3A-5uj7C:
21.25
1ig3B-5uj7C:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukg K-GECO

(Entacmaea
quadricolor) 		no annotation 4 GLN A 273
LEU A  63
SER A 265
ASN A  32
 None
None
None
NRQ  A 186 ( 3.6A)
 1.25A 1ig3A-5ukgA:
undetectable
1ig3B-5ukgA:
undetectable		 1ig3A-5ukgA:
20.44
1ig3B-5ukgA:
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.
5vjo HYHEL10 LIGHT CHAIN
FAB FRAGMENT

(Mus musculus) 		no annotation 4 ASP B  82
SER B  18
SER B  74
ASN B  76
 None
 1.26A 1ig3A-5vjoB:
undetectable
1ig3B-5vjoB:
undetectable		 1ig3A-5vjoB:
14.34
1ig3B-5vjoB:
14.34
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 312
ASP A 315
LEU A 417
SER A 398
 None
 1.00A 1ig3A-5vm1A:
undetectable
1ig3B-5vm1A:
undetectable		 1ig3A-5vm1A:
19.23
1ig3B-5vm1A:
19.23
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.
5vqi IMPORTIN SUBUNIT
ALPHA

(Neurospora
crassa) 		no annotation 4 GLN B 414
LEU B 427
SER B 402
SER B 406
 None
 1.07A 1ig3A-5vqiB:
undetectable
1ig3B-5vqiB:
undetectable		 1ig3A-5vqiB:
21.66
1ig3B-5vqiB:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wfb AP-4 COMPLEX
ACCESSORY SUBUNIT
TEPSIN

(Homo sapiens) 		PF01417
(ENTH) 		4 GLN A  51
LEU A  79
SER A  43
SER A  46
 None
 1.11A 1ig3A-5wfbA:
undetectable
1ig3B-5wfbA:
undetectable		 1ig3A-5wfbA:
19.92
1ig3B-5wfbA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 4 GLN B  19
LEU B  30
SER B 120
ASN B 123
 None
 1.15A 1ig3A-5xyjB:
undetectable
1ig3B-5xyjB:
undetectable		 1ig3A-5xyjB:
20.42
1ig3B-5xyjB:
20.42
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 4 GLN A 416
ASP A 414
LEU A 469
SER A 426
 None
 1.21A 1ig3A-5z9sA:
undetectable
1ig3B-5z9sA:
undetectable		 1ig3A-5z9sA:
15.97
1ig3B-5z9sA:
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.
6az1 RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 4 ASP H 180
SER H 170
SER H 173
ASN H 172
 None
 1.21A 1ig3A-6az1H:
undetectable
1ig3B-6az1H:
undetectable		 1ig3A-6az1H:
14.89
1ig3B-6az1H:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 990
LEU A 969
SER A1013
ASN A1012
 None
 0.90A 1ig3A-6eojA:
undetectable
1ig3B-6eojA:
undetectable		 1ig3A-6eojA:
11.84
1ig3B-6eojA:
11.84