SIMILAR PATTERNS OF AMINO ACIDS FOR 3I5U_B_SAMB401

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.
1bru ELASTASE

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU P 106
GLY P  43
GLY P  44
SER P 190
ASP P 102
 None
None
None
1NB  P   1 (-3.5A)
None
 1.14A 3i5uB-1bruP:
undetectable		 3i5uB-1bruP:
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 HIS A 420
LEU A 419
GLY A 367
LEU A 337
ASP A 395
 None
 1.06A 3i5uB-1clwA:
undetectable		 3i5uB-1clwA:
21.16
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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 HIS A 420
LEU A 419
GLY A 367
LEU A 337
ASP A 395
 None
 1.19A 3i5uB-1clwA:
undetectable		 3i5uB-1clwA:
21.16
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 HIS A 342
LEU A  53
GLY A 395
LEU A 435
ALA A 402
 None
 1.05A 3i5uB-1d8cA:
2.9		 3i5uB-1d8cA:
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.
1e1k ADRENODOXIN
REDUCTASE

(Bos taurus) 		PF07992
(Pyr_redox_2) 		5 LEU A  46
GLY A 128
LEU A 449
PRO A 134
ASP A 175
 FAD  A 801 (-3.5A)
None
None
None
None
 1.12A 3i5uB-1e1kA:
2.1		 3i5uB-1e1kA:
23.92
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 LEU A1356
GLY A1506
GLY A1507
SER A1296
ALA A1317
 None
 0.96A 3i5uB-1e6yA:
undetectable		 3i5uB-1e6yA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)
PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 LEU A 190
GLY A 242
GLY A 245
LEU B 182
ALA A 225
 None
FAD  A 399 (-3.1A)
FAD  A 399 (-4.6A)
FAD  A 399 (-4.6A)
None
 1.07A 3i5uB-1efpA:
undetectable		 3i5uB-1efpA:
25.21
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 525
GLY A 524
LEU A 355
SER A 359
ASP A 471
 None
 1.07A 3i5uB-1eovA:
undetectable		 3i5uB-1eovA:
20.59
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU A 106
GLY A  43
GLY A  44
SER A 190
ASP A 102
 None
 1.21A 3i5uB-1eufA:
undetectable		 3i5uB-1eufA:
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.
1fi8 NATURAL KILLER CELL
PROTEASE 1

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 LEU A 106
GLY A  43
GLY A  44
SER A 190
ASP A 102
 None
 1.18A 3i5uB-1fi8A:
undetectable		 3i5uB-1fi8A:
20.65
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 TRP A 151
MET A 168
GLY A 197
GLY A 198
TRP A 259
 SAH  A1699 ( 3.8A)
HMO  A2000 ( 4.0A)
SAH  A1699 ( 4.2A)
SAH  A1699 ( 3.9A)
None
 0.62A 3i5uB-1fp2A:
29.7		 3i5uB-1fp2A:
25.34
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 218
GLY A 219
LEU A 241
ALA A 275
TRP A 280
 None
None
SAM  A1699 (-4.2A)
SAM  A1699 (-3.5A)
None
 0.28A 3i5uB-1fpqA:
14.5		 3i5uB-1fpqA:
27.74
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		5 LEU A 449
GLY A 223
GLY A 222
LEU A 351
ASP A 278
 None
 1.20A 3i5uB-1gk2A:
undetectable		 3i5uB-1gk2A:
25.09
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.
1m3u 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF02548
(Pantoate_transf) 		5 MET A 215
HIS A 216
GLY A  44
LEU A  81
ASP A  26
 None
None
KPL  A 265 (-3.2A)
None
None
 1.18A 3i5uB-1m3uA:
undetectable		 3i5uB-1m3uA:
24.29
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 TRP A 240
MET A  50
LEU A  51
GLY A  44
ALA A 108
 None
 1.20A 3i5uB-1nkvA:
16.5		 3i5uB-1nkvA:
26.25
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		6 LEU A 237
GLY A 103
GLY A 102
LEU A  98
PRO A  99
SER A 109
 None
ANP  A1285 (-3.0A)
ANP  A1285 (-4.0A)
None
None
None
 1.33A 3i5uB-1oj4A:
undetectable		 3i5uB-1oj4A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU C 106
GLY C  43
GLY C  44
SER C 190
ASP C 102
 None
None
None
0G6  C 301 (-2.6A)
None
 1.13A 3i5uB-1pfxC:
undetectable		 3i5uB-1pfxC:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		6 TRP A 146
GLY A 191
GLY A 192
LEU A 214
PRO A 217
TRP A 261
 SAM  A 635 (-4.2A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-3.5A)
SAM  A 635 (-4.2A)
SAM  A 635 (-4.6A)
None
 0.76A 3i5uB-1qzzA:
35.3		 3i5uB-1qzzA:
43.13
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 317
GLY A 287
LEU A  14
SER A 352
ALA A 314
 None
SO4  A 374 (-3.0A)
None
None
None
 1.14A 3i5uB-1to6A:
4.0		 3i5uB-1to6A:
23.14
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.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  16
LEU A 210
PRO A 209
ALA A  45
 None
 1.09A 3i5uB-1ulsA:
6.5		 3i5uB-1ulsA:
25.29
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		5 HIS A 276
GLY A  83
GLY A  82
SER A 112
ASP A 359
 B2G  A1399 ( 3.8A)
None
None
None
B2G  A1399 (-3.0A)
 1.20A 3i5uB-1ur4A:
undetectable		 3i5uB-1ur4A:
23.65
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.
2b4g DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF01180
(DHO_dh) 		5 HIS A 261
GLY A 222
GLY A 223
LEU A  64
ALA A 230
 None
FMN  A1400 (-3.7A)
FMN  A1400 (-3.4A)
None
None
 1.16A 3i5uB-2b4gA:
2.0		 3i5uB-2b4gA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 HIS A 260
GLY A 220
GLY A 221
LEU A  63
ALA A 228
 None
FMN  A1312 ( 3.8A)
FMN  A1312 (-3.6A)
None
None
 1.20A 3i5uB-2bx7A:
undetectable		 3i5uB-2bx7A:
21.31
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.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 218
GLY A 321
PRO A 133
SER A 313
ALA A 292
 None
 1.14A 3i5uB-2chrA:
undetectable		 3i5uB-2chrA:
25.30
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 MET A 618
LEU A 619
GLY A 612
GLY A 613
PRO A 635
 None
 1.14A 3i5uB-2ecfA:
undetectable		 3i5uB-2ecfA:
20.37
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 LEU A  59
GLY A  68
GLY A  32
SER A  36
ASP A 249
 None
 1.07A 3i5uB-2i7xA:
undetectable		 3i5uB-2i7xA:
17.43
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		5 HIS A  82
GLY A 111
GLY A 110
LEU A  88
ASP A 236
 None
 0.97A 3i5uB-2ijzA:
undetectable		 3i5uB-2ijzA:
25.35
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 LEU A  11
GLY A 182
GLY A 180
LEU A 193
TRP A 147
 None
 1.11A 3i5uB-2j7vA:
undetectable		 3i5uB-2j7vA:
22.66
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 HIS A 595
LEU A 593
GLY A 569
LEU A 565
TRP A 616
 SO4  A 707 (-3.8A)
None
None
None
None
 1.18A 3i5uB-2o8rA:
undetectable		 3i5uB-2o8rA:
19.89
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.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A  73
GLY A 193
GLY A 142
SER A 214
ALA A  32
 None
 1.12A 3i5uB-2psyA:
undetectable		 3i5uB-2psyA:
20.25
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.
2qe8 UNCHARACTERIZED
PROTEIN

(Trichormus
variabilis) 		PF03022
(MRJP) 		5 GLY A 198
LEU A 194
PRO A 138
ASP A 293
TRP A 291
 UNL  A 344 (-3.6A)
GOL  A 346 ( 4.7A)
None
UNL  A 344 (-2.7A)
None
 1.17A 3i5uB-2qe8A:
undetectable		 3i5uB-2qe8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 202
GLY A 203
ALA A 259
ASP A 263
TRP A 264
 SAH  A 601 ( 4.3A)
SAH  A 601 ( 3.8A)
SAH  A 601 (-3.9A)
QSO  A 701 (-3.9A)
None
 0.46A 3i5uB-2qyoA:
24.1		 3i5uB-2qyoA:
26.72
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A  55
GLY A  14
GLY A  17
LEU A 114
ALA A  41
 None
EDO  A 320 ( 3.3A)
EDO  A 320 (-3.6A)
None
SO4  A 316 (-3.6A)
 1.19A 3i5uB-2qytA:
6.7		 3i5uB-2qytA:
23.26
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.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU U 106
GLY U  43
GLY U  44
SER U 190
ASP U 102
 None
None
None
4PG  U 300 (-2.7A)
None
 1.02A 3i5uB-2r2wU:
undetectable		 3i5uB-2r2wU:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 LEU A 336
GLY A 353
GLY A 352
PRO A 318
SER A  45
 None
FAD  A 600 (-4.5A)
None
None
FAD  A 600 (-4.2A)
 0.99A 3i5uB-2r4jA:
2.2		 3i5uB-2r4jA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 LEU A 220
GLY A 599
GLY A 611
SER A 351
ALA A 596
 None
 1.12A 3i5uB-2vobA:
2.7		 3i5uB-2vobA:
19.97
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU S 106
GLY S  43
GLY S  44
SER S 190
ASP S 102
 None
 1.13A 3i5uB-2wpmS:
undetectable		 3i5uB-2wpmS:
22.19
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 169
GLY A 222
GLY A 224
LEU A 519
ALA A 166
 None
None
None
None
FAD  A 601 (-3.2A)
 1.03A 3i5uB-2wu5A:
undetectable		 3i5uB-2wu5A:
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.
2zec TRYPTASE BETA 2

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 110
GLY A  45
GLY A  46
SER A 204
ASP A 106
 None
None
None
11N  A   1 (-3.5A)
None
 1.09A 3i5uB-2zecA:
undetectable		 3i5uB-2zecA:
20.88
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 HIS A 379
LEU A 354
GLY A 420
GLY A 421
ALA A 377
 None
GOL  A 915 (-4.1A)
None
None
None
 1.15A 3i5uB-3a21A:
2.4		 3i5uB-3a21A:
23.03
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.
3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A  10
GLY A  27
GLY A  25
SER A 220
ALA A  32
 None
 1.19A 3i5uB-3dffA:
5.7		 3i5uB-3dffA:
24.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		6 TRP A 146
MET A 163
GLY A 191
GLY A 192
ASP A 260
TRP A 261
 SAH  A 350 ( 4.0A)
SAH  A 350 ( 3.7A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.6A)
MQA  A 351 (-2.8A)
None
 0.64A 3i5uB-3gxoA:
36.0		 3i5uB-3gxoA:
35.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 TRP A 146
MET A 163
GLY A 192
ASP A 260
TRP A 261
 SAH  A 350 ( 4.0A)
SAH  A 350 ( 3.7A)
SAH  A 350 (-3.6A)
MQA  A 351 (-2.8A)
None
 1.05A 3i5uB-3gxoA:
36.0		 3i5uB-3gxoA:
35.34
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.
3heo MYOGLOBIN

(Equus caballus) 		PF00042
(Globin) 		5 TRP A   7
LEU A  89
GLY A  74
GLY A  73
LEU A  11
 None
HEM  A 154 (-4.6A)
None
None
None
 1.08A 3i5uB-3heoA:
undetectable		 3i5uB-3heoA:
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.
3hj9 OXIDOREDUCTASE

(Cupriavidus
pinatubonensis) 		PF00881
(Nitroreductase) 		5 GLY A 180
GLY A 211
PRO A 135
SER A 215
ALA A 177
 None
 1.10A 3i5uB-3hj9A:
undetectable		 3i5uB-3hj9A:
25.36
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.
3hp0 PUTATIVE POLYKETIDE
BIOSYNTHESIS
ENOYL-COA HYDRATASE
HOMOLOG PKSH

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 LEU A  89
GLY A 115
GLY A 117
SER A 132
ALA A  67
 None
 1.09A 3i5uB-3hp0A:
undetectable		 3i5uB-3hp0A:
21.26
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 HIS A  45
LEU A  23
GLY A  34
LEU A 353
ALA A  41
 None
 1.20A 3i5uB-3i4jA:
undetectable		 3i5uB-3i4jA:
26.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		6 MET A 150
HIS A 153
GLY A 177
GLY A 178
LEU A 201
ALA A 243
 7NA  A 402 ( 3.6A)
7NA  A 402 (-4.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
7NA  A 402 ( 3.7A)
 1.28A 3i5uB-3i58A:
49.4		 3i5uB-3i58A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		6 MET A 150
HIS A 153
GLY A 177
LEU A 201
PRO A 204
ALA A 243
 7NA  A 402 ( 3.6A)
7NA  A 402 (-4.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.7A)
7NA  A 402 ( 3.7A)
 1.02A 3i5uB-3i58A:
49.4		 3i5uB-3i58A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		12 TRP A 133
MET A 150
HIS A 153
LEU A 154
GLY A 178
GLY A 179
LEU A 201
PRO A 204
SER A 227
ALA A 243
ASP A 247
TRP A 248
 SAH  A 401 (-3.8A)
7NA  A 402 ( 3.6A)
7NA  A 402 (-4.1A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.3A)
7NA  A 402 ( 3.7A)
SAH  A 401 (-4.6A)
None
 0.20A 3i5uB-3i58A:
49.4		 3i5uB-3i58A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		10 TRP A 133
MET A 150
HIS A 153
LEU A 154
GLY A 178
LEU A 201
SER A 227
ALA A 243
ASP A 247
TRP A 248
 SAH  A 401 (-3.8A)
7NA  A 402 ( 3.6A)
7NA  A 402 (-4.1A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 (-3.3A)
7NA  A 402 ( 3.7A)
SAH  A 401 (-4.6A)
None
 0.91A 3i5uB-3i58A:
49.4		 3i5uB-3i58A:
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 LEU A  68
GLY A  29
LEU A 165
SER A 163
ALA A  42
 None
 1.15A 3i5uB-3j4sA:
2.9		 3i5uB-3j4sA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 LEU A  68
GLY A  34
LEU A 165
SER A 163
ALA A  42
 None
 1.14A 3i5uB-3j4sA:
2.9		 3i5uB-3j4sA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 GLY A 184
GLY A 185
LEU A 192
PRO A 175
ALA A 345
 None
 1.18A 3i5uB-3kljA:
undetectable		 3i5uB-3kljA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		5 HIS A 261
GLY A 222
GLY A 223
LEU A  64
ALA A 230
 None
FMN  A 313 (-3.6A)
FMN  A 313 (-3.3A)
None
None
 1.15A 3i5uB-3mhuA:
2.2		 3i5uB-3mhuA:
23.47
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.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 HIS A 259
GLY A 219
GLY A 220
LEU A  65
ALA A 227
 None
FMN  A 400 (-3.7A)
FMN  A 400 (-3.4A)
None
None
 1.12A 3i5uB-3oixA:
undetectable		 3i5uB-3oixA:
24.16
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 206
GLY A 207
LEU A 229
ASP A 267
TRP A 268
 SAH  A 401 ( 4.0A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.3A)
None
None
 0.54A 3i5uB-3p9cA:
25.8		 3i5uB-3p9cA:
29.32
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		5 LEU A  59
GLY A 139
LEU A 132
PRO A 137
SER A 165
 None
 1.19A 3i5uB-3we7A:
4.1		 3i5uB-3we7A:
21.97
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 LEU A 469
GLY A 428
GLY A 427
PRO A 426
ALA A 140
 None
None
None
CBI  A 502 (-4.3A)
None
 1.21A 3i5uB-4a05A:
undetectable		 3i5uB-4a05A:
21.91
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.
4b2g GH3-1 AUXIN
CONJUGATING ENZYME

(Vitis vinifera) 		PF03321
(GH3) 		5 LEU A 401
GLY A 344
LEU A 134
SER A 133
ALA A 365
 None
 1.17A 3i5uB-4b2gA:
undetectable		 3i5uB-4b2gA:
22.13
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 GLY A  48
GLY A  49
SER A  99
ALA A 525
ASP A 527
 2DG  A1001 (-3.5A)
None
None
None
None
 1.16A 3i5uB-4ccdA:
2.3		 3i5uB-4ccdA:
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 MET A 747
HIS A 750
GLY A 742
GLY A 743
LEU A 663
 None
None
None
None
AGS  A1985 (-4.2A)
 1.01A 3i5uB-4crsA:
undetectable		 3i5uB-4crsA:
22.74
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 MET A 179
GLY A 209
GLY A 210
LEU A 232
ASP A 272
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.4A)
C9M  A 402 ( 2.3A)
None
 0.47A 3i5uB-4eviA:
25.4		 3i5uB-4eviA:
27.14
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 MET A 179
GLY A 209
LEU A 232
ASP A 272
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 4.4A)
C9M  A 402 ( 2.3A)
None
 1.07A 3i5uB-4eviA:
25.4		 3i5uB-4eviA:
27.14
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 305
GLY A 304
LEU A 265
SER A 309
ALA A 222
 LLP  A  41 ( 3.9A)
LLP  A  41 ( 4.6A)
None
None
LLP  A  41 ( 3.7A)
 1.19A 3i5uB-4h27A:
2.7		 3i5uB-4h27A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hr3 PUTATIVE ACYL-COA
DEHYDROGENASE

(Mycobacteroides
abscessus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 233
GLY A 232
PRO A 231
ALA A 141
ASP A 110
 None
 1.14A 3i5uB-4hr3A:
undetectable		 3i5uB-4hr3A:
24.59
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.
4i5u CHIMERIC CEL6A

(Humicola
insolens;
Trichoderma
reesei;
Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 LEU A 439
GLY A 398
GLY A 397
PRO A 396
ALA A 112
 None
None
None
EDO  A 505 ( 4.7A)
None
 1.20A 3i5uB-4i5uA:
undetectable		 3i5uB-4i5uA:
22.31
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 HIS A  90
LEU A  86
GLY A 113
GLY A 112
PRO A  48
 None
 1.17A 3i5uB-4mynA:
undetectable		 3i5uB-4mynA:
22.35
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		5 LEU A 238
GLY A 219
GLY A 220
LEU A 132
ASP A 203
 None
 1.20A 3i5uB-4obsA:
undetectable		 3i5uB-4obsA:
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 207
GLY A 208
LEU A 230
ASP A 268
TRP A 269
 SAM  A 401 ( 3.9A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.3A)
None
None
 0.59A 3i5uB-4pghA:
25.6		 3i5uB-4pghA:
29.29
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 HIS A  42
LEU A  49
GLY A  33
GLY A  34
ALA A 104
 None
 1.19A 3i5uB-4q0gA:
undetectable		 3i5uB-4q0gA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 GLY A 452
LEU A 456
PRO A 474
SER A 435
ALA A 406
 None
 1.14A 3i5uB-4ufsA:
undetectable		 3i5uB-4ufsA:
20.52
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.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN

(Burkholderia
pseudomallei) 		PF06429
(Flg_bbr_C) 		5 LEU A 571
GLY A 328
GLY A 327
PRO A 326
ALA A 314
 None
 0.99A 3i5uB-4ut1A:
undetectable		 3i5uB-4ut1A:
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 GLY A  94
GLY A  95
SER A  15
ALA A  67
ASP A  65
 None
 1.10A 3i5uB-4w7hA:
6.4		 3i5uB-4w7hA:
23.85
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 226
GLY A 225
SER A 237
ALA A 216
ASP A  69
 None
 1.20A 3i5uB-4wv3A:
2.9		 3i5uB-4wv3A:
20.94
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		5 HIS A 261
GLY A 222
GLY A 223
LEU A  64
ALA A 230
 None
FMN  A 401 ( 3.9A)
FMN  A 401 (-3.3A)
None
None
 1.19A 3i5uB-4wzhA:
undetectable		 3i5uB-4wzhA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		5 GLY A 198
GLY A 199
PRO A 238
SER A 244
ALA A 335
 None
 1.19A 3i5uB-4x90A:
undetectable		 3i5uB-4x90A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 279
GLY A 269
GLY A 270
LEU A 193
ALA A 472
 None
None
None
AN2  A 601 ( 4.2A)
None
 1.04A 3i5uB-4yhjA:
undetectable		 3i5uB-4yhjA:
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A  31
GLY A  75
GLY A  74
LEU A  55
ALA A  81
 None
 1.19A 3i5uB-4yioA:
undetectable		 3i5uB-4yioA:
22.05
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 MET A 833
GLY A 838
GLY A 837
LEU A 905
PRO A 906
 None
None
None
None
GOL  A3008 ( 4.7A)
 1.07A 3i5uB-4yswA:
undetectable		 3i5uB-4yswA:
14.26
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.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 GLY A 176
GLY A 221
PRO A 202
SER A 264
ALA A  70
 LLP  A  42 ( 3.7A)
None
None
None
SO4  A 404 (-3.7A)
 1.05A 3i5uB-5b1hA:
2.3		 3i5uB-5b1hA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 TRP A 241
MET A  51
LEU A  52
GLY A  45
ALA A 109
 None
None
None
SAH  A 301 (-3.6A)
None
 1.16A 3i5uB-5bp7A:
8.2		 3i5uB-5bp7A:
25.84
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 TRP A 166
MET A 183
GLY A 212
GLY A 213
LEU A 235
ASP A 273
TRP A 274
 SAH  A 401 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 4.2A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.3A)
N7I  A 402 ( 2.7A)
None
 0.46A 3i5uB-5cvvA:
26.5		 3i5uB-5cvvA:
27.94
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 TRP A 166
MET A 183
GLY A 212
LEU A 235
ASP A 273
TRP A 274
 SAH  A 401 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-4.3A)
N7I  A 402 ( 2.7A)
None
 0.94A 3i5uB-5cvvA:
26.5		 3i5uB-5cvvA:
27.94
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 TRP A 240
MET A  50
LEU A  51
GLY A  44
ALA A 108
 None
None
None
SAH  A 301 (-3.6A)
None
 1.16A 3i5uB-5epeA:
12.3		 3i5uB-5epeA:
24.20
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A  36
GLY A  77
GLY A  76
LEU A 150
ASP A 106
 None
 0.93A 3i5uB-5gmsA:
undetectable		 3i5uB-5gmsA:
26.00
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 LEU A 412
GLY A 346
LEU A 136
SER A 135
ALA A 367
 None
 1.12A 3i5uB-5kodA:
undetectable		 3i5uB-5kodA:
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.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 HIS A 341
LEU A  44
GLY A 103
GLY A 104
ALA A 130
 None
 1.18A 3i5uB-5lkdA:
undetectable		 3i5uB-5lkdA:
22.06
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 HIS A 388
LEU A 383
GLY A 394
SER A 132
ALA A 123
 CAA  A 501 (-4.1A)
None
None
None
CAA  A 501 (-3.1A)
 1.16A 3i5uB-5lnqA:
undetectable		 3i5uB-5lnqA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ms3 KALLIKREIN-8

(Homo sapiens) 		no annotation 5 LEU A  73
GLY A 193
GLY A 142
SER A 214
ALA A  32
 None
 1.15A 3i5uB-5ms3A:
undetectable		 3i5uB-5ms3A:
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.
5t8y EPOXYQUEUOSINE
REDUCTASE

(Bacillus
subtilis) 		PF08331
(DUF1730)
PF13484
(Fer4_16)
PF13646
(HEAT_2) 		5 LEU A 169
GLY A 150
PRO A 161
ALA A 147
ASP A 181
 B12  A 503 (-4.1A)
None
None
None
None
 1.16A 3i5uB-5t8yA:
undetectable		 3i5uB-5t8yA:
21.56
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.
5u0l N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A 233
GLY A 209
LEU A  41
SER A  40
ALA A 144
 None
EDO  A 508 ( 3.7A)
None
None
None
 1.18A 3i5uB-5u0lA:
4.1		 3i5uB-5u0lA:
23.95
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 433
LEU A  85
PRO A  84
SER A 363
ALA A 386
 None
 1.14A 3i5uB-5v9xA:
2.9		 3i5uB-5v9xA:
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 MET A 175
GLY A 204
GLY A 205
LEU A 227
TRP A 266
 8B6  A 402 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
None
 0.26A 3i5uB-5xohA:
27.0		 3i5uB-5xohA:
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 5 HIS F 162
GLY F 413
GLY F 412
LEU F 410
SER F 421
 None
 1.21A 3i5uB-5y81F:
undetectable		 3i5uB-5y81F:
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.
5yeq KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Sulfolobus
acidocaldarius) 		no annotation 5 LEU A  34
GLY A  26
GLY A  29
LEU A  81
ALA A  57
 SO4  A 504 (-4.6A)
None
None
None
None
 1.10A 3i5uB-5yeqA:
5.3		 3i5uB-5yeqA:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 MET A 621
LEU A 622
GLY A 615
GLY A 616
PRO A 638
 None
 1.14A 3i5uB-5yp3A:
undetectable		 3i5uB-5yp3A:
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.
5zbk PUTATIVE CYTOKININ
RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  70
GLY A  43
GLY A  42
LEU A  38
ALA A  12
 AMP  A 304 (-4.2A)
None
None
None
AMP  A 304 (-3.4A)
 1.14A 3i5uB-5zbkA:
3.7		 3i5uB-5zbkA:
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.
6az5 ALPHA-AMYLASE

([Eubacterium]
rectale) 		no annotation 5 LEU A 404
GLY A 472
GLY A 471
ALA A 461
TRP A 416
 None
 1.08A 3i5uB-6az5A:
undetectable		 3i5uB-6az5A:
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 LEU A 221
GLY A  23
GLY A  25
LEU A 236
ALA A 231
 None
 1.09A 3i5uB-6cyzA:
undetectable		 3i5uB-6cyzA:
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.
1b35 PROTEIN (CRICKET
PARALYSIS VIRUS,
VP1)
PROTEIN (CRICKET
PARALYSIS VIRUS,
VP3)

(Cricket
paralysis
virus;
Cricket
paralysis virus) 		PF08762
(CRPV_capsid)
no annotation 		3 ASP A  23
PHE C 141
SER C 120
 None
 0.90A 3i5uB-1b35A:
undetectable		 3i5uB-1b35A:
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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		3 ASP A 189
PHE A 230
SER A 406
 None
 0.80A 3i5uB-1crzA:
undetectable		 3i5uB-1crzA:
23.04
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 ASP B 477
PHE B 481
SER B 449
 None
 0.98A 3i5uB-1gl9B:
undetectable		 3i5uB-1gl9B:
15.59
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.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		3 ASP A 117
PHE A 114
SER A 159
 None
 1.00A 3i5uB-1igoA:
undetectable		 3i5uB-1igoA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kp6 PROTEIN (TOXIN)

(Ustilago maydis) 		no annotation 3 ASP A  56
PHE A  53
SER A  76
 None
 0.77A 3i5uB-1kp6A:
undetectable		 3i5uB-1kp6A:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 3 ASP T  51
PHE T  24
SER T  56
 None
 0.69A 3i5uB-1lthT:
7.3		 3i5uB-1lthT:
25.41
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.
1moe ANTI-CEA MAB T84.66

(Mus musculus) 		PF07686
(V-set) 		3 ASP A  30
PHE A  36
SER A  56
 None
 0.92A 3i5uB-1moeA:
undetectable		 3i5uB-1moeA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans;
Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ASP A  43
PHE B 728
SER B 306
 None
 1.02A 3i5uB-1n60A:
undetectable		 3i5uB-1n60A:
20.66
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.
1o5e SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF09272
(Hepsin-SRCR) 		3 ASP L 107
PHE L  50
SER L  13
 None
 1.01A 3i5uB-1o5eL:
undetectable		 3i5uB-1o5eL:
17.03
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01259
(SAICAR_synt) 		3 ASP A  71
PHE A  67
SER A 200
 None
 0.61A 3i5uB-1obgA:
undetectable		 3i5uB-1obgA:
20.11
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.
1s9c PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2

(Homo sapiens) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		3 ASP A  53
PHE A  46
SER A 237
 None
 0.72A 3i5uB-1s9cA:
undetectable		 3i5uB-1s9cA:
24.16
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.
1t4w C.ELEGANS P53 TUMOR
SUPPRESSOR-LIKE
TRANSCRIPTION FACTOR

(Caenorhabditis
elegans) 		PF09287
(CEP1-DNA_bind) 		3 ASP A 320
PHE A 317
SER A 335
 None
 0.96A 3i5uB-1t4wA:
undetectable		 3i5uB-1t4wA:
21.34
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 ASP A 378
PHE A 368
SER A 321
 FE2  A 600 (-2.0A)
None
None
 0.89A 3i5uB-1uliA:
undetectable		 3i5uB-1uliA:
23.12
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 ASP X  81
PHE X 269
SER X  89
 DDQ  X 502 (-2.9A)
None
None
 0.86A 3i5uB-1w52X:
undetectable		 3i5uB-1w52X:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wot PUTATIVE MINIMAL
NUCLEOTIDYLTRANSFERA
SE

(Thermus
thermophilus) 		PF01909
(NTP_transf_2) 		3 ASP A  73
PHE A  28
SER A  76
 None
 0.90A 3i5uB-1wotA:
undetectable		 3i5uB-1wotA:
17.52
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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		3 ASP A  80
PHE A  90
SER A  85
 None
 0.95A 3i5uB-1xm7A:
undetectable		 3i5uB-1xm7A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		3 ASP A  44
PHE A  47
SER A  38
 None
 1.00A 3i5uB-1xmpA:
3.6		 3i5uB-1xmpA:
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 ASP A  65
PHE A 105
SER A 157
 None
 1.01A 3i5uB-1xpgA:
undetectable		 3i5uB-1xpgA:
18.29
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		3 ASP A 338
PHE A  37
SER A 335
 None
 0.98A 3i5uB-2i3oA:
undetectable		 3i5uB-2i3oA:
22.35
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.
2j49 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 5

(Saccharomyces
cerevisiae) 		PF04494
(TFIID_NTD2) 		3 ASP A 207
PHE A 182
SER A 157
 None
 0.93A 3i5uB-2j49A:
undetectable		 3i5uB-2j49A:
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.
2k9m RNA POLYMERASE SIGMA
FACTOR RPON

(Aquifex
aeolicus) 		PF04963
(Sigma54_CBD) 		3 ASP A 143
PHE A 105
SER A 109
 None
 0.64A 3i5uB-2k9mA:
2.6		 3i5uB-2k9mA:
16.11
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		3 ASP A 192
PHE A 371
SER A 329
 None
 1.00A 3i5uB-2p4qA:
6.5		 3i5uB-2p4qA:
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.
2qsx PUTATIVE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Vibrio
parahaemolyticus) 		PF03466
(LysR_substrate) 		3 ASP A 171
PHE A 165
SER A  28
 None
 0.96A 3i5uB-2qsxA:
undetectable		 3i5uB-2qsxA:
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 3 ASP A 336
PHE A 371
SER A 367
 None
 0.92A 3i5uB-2quaA:
undetectable		 3i5uB-2quaA:
21.37
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		3 ASP A  26
PHE A  40
SER A  31
 None
 1.01A 3i5uB-2r8aA:
undetectable		 3i5uB-2r8aA:
23.58
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.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		3 ASP A 302
PHE A 305
SER A 321
 None
 0.92A 3i5uB-2w5sA:
undetectable		 3i5uB-2w5sA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 109
PHE A 147
SER A  66
 None
 0.86A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 191
PHE A 229
SER A 148
 None
 0.90A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 232
PHE A 270
SER A 189
 None
 0.77A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 273
PHE A  24
SER A 230
 None
 0.85A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 314
PHE A 352
SER A 558
 None
 0.65A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 396
PHE A 434
SER A 353
 None
 0.70A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 437
PHE A 475
SER A 394
 None
 0.58A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2ymu WD-40 REPEAT PROTEIN

(Nostoc
punctiforme) 		PF00400
(WD40) 		3 ASP A 519
PHE A 557
SER A 476
 None
 0.76A 3i5uB-2ymuA:
undetectable		 3i5uB-2ymuA:
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.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		3 ASP A 334
PHE A 270
SER A 263
 SAH  A 900 (-2.7A)
None
SAH  A 900 (-4.2A)
 0.79A 3i5uB-2zfuA:
11.6		 3i5uB-2zfuA:
22.94
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		3 ASP A  26
PHE A 244
SER A  44
 None
 0.96A 3i5uB-3abzA:
3.4		 3i5uB-3abzA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ASP A 211
PHE A 147
SER A 228
 None
 0.69A 3i5uB-3actA:
undetectable		 3i5uB-3actA:
18.35
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.
3bws PROTEIN LP49

(Leptospira
interrogans) 		PF10282
(Lactonase) 		3 ASP A 434
PHE A 153
SER A 376
 None
 0.78A 3i5uB-3bwsA:
undetectable		 3i5uB-3bwsA:
21.16
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		3 ASP A 197
PHE A 166
SER A 124
 PMP  A 401 (-2.7A)
None
SO4  A 402 ( 3.7A)
 0.69A 3i5uB-3cq5A:
4.9		 3i5uB-3cq5A:
23.81
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		3 ASP X  26
PHE X 101
SER X 438
 None
 0.96A 3i5uB-3dwoX:
undetectable		 3i5uB-3dwoX:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ASP A 246
PHE A 175
SER A 217
 None
 0.61A 3i5uB-3gg9A:
6.5		 3i5uB-3gg9A:
23.73
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		3 ASP A 143
PHE A 141
SER A 125
 None
 1.01A 3i5uB-3grzA:
9.7		 3i5uB-3grzA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Comamonas
testosteroni) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 ASP A 386
PHE A 376
SER A 329
 FE2  A 701 (-1.9A)
None
None
 0.86A 3i5uB-3gzyA:
undetectable		 3i5uB-3gzyA:
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.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		3 ASP A 174
PHE A 180
SER A 167
 None
 0.96A 3i5uB-3hc1A:
undetectable		 3i5uB-3hc1A:
24.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		3 ASP A 200
PHE A 228
SER A 242
 SAH  A 401 (-2.8A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.8A)
 0.05A 3i5uB-3i58A:
49.4		 3i5uB-3i58A:
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.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		3 ASP A 231
PHE A 148
SER A  24
 None
SO4  A 450 (-4.7A)
None
 0.98A 3i5uB-3mznA:
undetectable		 3i5uB-3mznA:
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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		3 ASP A 235
PHE A 209
SER A 260
 None
 1.00A 3i5uB-3nvaA:
2.0		 3i5uB-3nvaA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER

(Staphylococcus
aureus) 		PF04069
(OpuAC) 		3 ASP A 236
PHE A 142
SER A 221
 None
 1.00A 3i5uB-3o66A:
undetectable		 3i5uB-3o66A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		3 ASP A  23
PHE A  26
SER A  55
 None
 1.00A 3i5uB-3ou6A:
14.4		 3i5uB-3ou6A:
22.19
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		3 ASP X 170
PHE X 148
SER X 240
 None
 0.95A 3i5uB-3pb9X:
undetectable		 3i5uB-3pb9X:
24.23
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		3 ASP A 356
PHE A 271
SER A 398
 None
 0.79A 3i5uB-3r0zA:
2.6		 3i5uB-3r0zA:
25.77
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		3 ASP A1189
PHE A1230
SER A1136
 None
 0.93A 3i5uB-3sfzA:
5.8		 3i5uB-3sfzA:
14.35
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		3 ASP X 358
PHE X 273
SER X 400
 None
 0.88A 3i5uB-3ss7X:
2.0		 3i5uB-3ss7X:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 ASP A 295
PHE A 538
SER A  97
 None
 0.82A 3i5uB-3t8lA:
2.0		 3i5uB-3t8lA:
22.31
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 ASP A 272
PHE A 275
SER A 822
 None
 0.80A 3i5uB-3vuoA:
undetectable		 3i5uB-3vuoA:
13.04
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		3 ASP A 193
PHE A 195
SER A  69
 SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
None
 0.91A 3i5uB-3vywA:
8.7		 3i5uB-3vywA:
21.33
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ASP A 215
PHE A 321
SER A 284
 None
 0.91A 3i5uB-4bc5A:
undetectable		 3i5uB-4bc5A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyj PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 ASP A 621
PHE A 624
SER A 531
 None
 1.02A 3i5uB-4cyjA:
undetectable		 3i5uB-4cyjA:
21.85
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A  33
PHE A 353
SER A 317
 None
 0.99A 3i5uB-4e4fA:
undetectable		 3i5uB-4e4fA:
22.57
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		3 ASP A 116
PHE A  94
SER A 185
 None
 0.76A 3i5uB-4f9uA:
undetectable		 3i5uB-4f9uA:
21.58
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.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		3 ASP A  55
PHE A  58
SER A  49
 None
 1.02A 3i5uB-4grdA:
3.7		 3i5uB-4grdA:
21.02
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.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		3 ASP A  85
PHE A  83
SER A 134
 None
 0.90A 3i5uB-4ixoA:
undetectable		 3i5uB-4ixoA:
21.80
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.
4jcd MAJOR CAPSID PROTEIN
VP1

(Human
polyomavirus 2) 		PF00718
(Polyoma_coat) 		3 ASP A 166
PHE A 170
SER A  71
 None
None
GOL  A 301 (-4.7A)
 0.99A 3i5uB-4jcdA:
undetectable		 3i5uB-4jcdA:
21.75
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.
4juu EPIMERASE

(Xanthomonas
campestris) 		PF05544
(Pro_racemase) 		3 ASP A 156
PHE A 165
SER A 212
 None
 0.93A 3i5uB-4juuA:
undetectable		 3i5uB-4juuA:
24.16
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		3 ASP A 595
PHE A 809
SER A 608
 None
 0.91A 3i5uB-4krfA:
2.2		 3i5uB-4krfA:
16.43
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.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE

(Ixodes
scapularis) 		PF04389
(Peptidase_M28) 		3 ASP A 130
PHE A 108
SER A 198
 None
 0.96A 3i5uB-4mhpA:
undetectable		 3i5uB-4mhpA:
21.33
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.
4p1x GAMMA-HEMOLYSIN
COMPONENT C

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 ASP B  86
PHE B 226
SER B 151
 None
 0.95A 3i5uB-4p1xB:
undetectable		 3i5uB-4p1xB:
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.
4r40 PROTEIN TOLB

(Yersinia pestis) 		PF04052
(TolB_N)
PF07676
(PD40) 		3 ASP A 210
PHE A 251
SER A 427
 None
 0.99A 3i5uB-4r40A:
undetectable		 3i5uB-4r40A:
23.52
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		3 ASP C 618
PHE C 621
SER C 573
 None
 0.95A 3i5uB-4u1cC:
2.7		 3i5uB-4u1cC:
21.42
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		3 ASP c 618
PHE c 621
SER c 573
 None
 0.95A 3i5uB-4uerc:
2.6		 3i5uB-4uerc:
16.83
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.
4uft NUCLEOPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap) 		3 ASP B 125
PHE B 116
SER B 107
 None
 1.01A 3i5uB-4uftB:
undetectable		 3i5uB-4uftB:
24.21
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 ASP A 185
PHE A 184
SER A 191
 None
 0.95A 3i5uB-4w8jA:
undetectable		 3i5uB-4w8jA:
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		3 ASP A 605
PHE A 582
SER A 546
 None
 1.00A 3i5uB-4xjxA:
2.7		 3i5uB-4xjxA:
13.94
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3

(Saccharomyces
cerevisiae) 		no annotation 3 ASP L 359
PHE L 357
SER L 340
 None
 0.99A 3i5uB-4xr7L:
undetectable		 3i5uB-4xr7L:
20.21
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		3 ASP A  42
PHE A  58
SER A  68
 None
 0.98A 3i5uB-4y9wA:
undetectable		 3i5uB-4y9wA:
23.12
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.
4yzw AGAP004976-PA

(Anopheles
gambiae) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ASP A 167
PHE A 165
SER A  95
 None
 1.01A 3i5uB-4yzwA:
undetectable		 3i5uB-4yzwA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 ASP A 388
PHE A 378
SER A 331
 FE2  A 461 (-2.2A)
None
None
 0.73A 3i5uB-5aewA:
undetectable		 3i5uB-5aewA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		3 ASP A 379
PHE A 398
SER A 391
 ZN  A 703 (-2.3A)
4ZN  A 704 (-4.9A)
SO4  A 709 (-3.9A)
 0.97A 3i5uB-5cbmA:
undetectable		 3i5uB-5cbmA:
19.96
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.
5d6a PREDICTED ATPASE OF
THE ABC CLASS

(Vibrio
vulnificus) 		PF09818
(ABC_ATPase) 		3 ASP A 103
PHE A 518
SER A 106
 None
 0.94A 3i5uB-5d6aA:
undetectable		 3i5uB-5d6aA:
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		3 ASP A 189
PHE A 173
SER A 330
 None
 0.93A 3i5uB-5dkxA:
undetectable		 3i5uB-5dkxA:
16.37
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 ASP A 626
PHE A 594
SER A 332
 None
 1.00A 3i5uB-5dmyA:
2.3		 3i5uB-5dmyA:
16.63
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		3 ASP A 931
PHE A 857
SER A 937
 None
 0.93A 3i5uB-5ehkA:
2.2		 3i5uB-5ehkA:
17.39
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		3 ASP A 183
PHE A 127
SER A 122
 None
 0.78A 3i5uB-5gw8A:
undetectable		 3i5uB-5gw8A:
24.11
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40) 		3 ASP C 273
PHE C 312
SER C 290
 None
 0.96A 3i5uB-5k1cC:
undetectable		 3i5uB-5k1cC:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		3 ASP A 132
PHE A  48
SER A 143
 None
 1.00A 3i5uB-5kbmA:
undetectable		 3i5uB-5kbmA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj3 PRP46

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ASP J 408
PHE J 155
SER J 405
 None
 0.79A 3i5uB-5lj3J:
undetectable		 3i5uB-5lj3J:
23.09
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 824
PHE A1074
SER A 679
 None
 0.82A 3i5uB-5lstA:
3.3		 3i5uB-5lstA:
20.95
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.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		3 ASP A1701
PHE A1875
SER A1704
 None
None
EDO  A2029 (-2.2A)
 0.68A 3i5uB-5mznA:
undetectable		 3i5uB-5mznA:
18.56
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 3 ASP A 507
PHE A 229
SER A 143
 None
 0.80A 3i5uB-5n6vA:
undetectable		 3i5uB-5n6vA:
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 ASP A 208
PHE A 283
SER A 148
 None
 0.86A 3i5uB-5oljA:
undetectable		 3i5uB-5oljA:
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		3 ASP E 124
PHE E  86
SER E 627
 None
 1.00A 3i5uB-5u8sE:
3.2		 3i5uB-5u8sE:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		3 ASP A 287
PHE A 283
SER A 172
 None
 0.94A 3i5uB-5vxlA:
undetectable		 3i5uB-5vxlA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		3 ASP A  78
PHE A 101
SER A 139
 None
 0.98A 3i5uB-5weoA:
undetectable		 3i5uB-5weoA:
16.04
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.
5wj8 CADHERIN-23

(Homo sapiens) 		no annotation 3 ASP A1487
PHE A1395
SER A1392
 None
 0.99A 3i5uB-5wj8A:
undetectable		 3i5uB-5wj8A:
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.
5wmb DNA REPAIR PROTEIN
REV1

(Saccharomyces
cerevisiae) 		no annotation 3 ASP A 467
PHE A 448
SER A 507
 MG  A 801 (-2.2A)
None
None
 0.77A 3i5uB-5wmbA:
undetectable		 3i5uB-5wmbA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y50 PROTEIN
DETOXIFICATION 14

(Arabidopsis
thaliana) 		no annotation 3 ASP A 400
PHE A 254
SER A 396
 None
 0.95A 3i5uB-5y50A:
undetectable		 3i5uB-5y50A:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 3 ASP A 205
PHE A 233
SER A 247
 SAH  A 501 (-2.9A)
SAH  A 501 (-3.5A)
SAH  A 501 (-2.8A)
 0.41A 3i5uB-6c5bA:
36.0		 3i5uB-6c5bA:
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.
6d6t HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2

(Homo sapiens) 		no annotation 3 ASP E 161
PHE E 201
SER E 164
 None
 0.94A 3i5uB-6d6tE:
undetectable		 3i5uB-6d6tE:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fju -

(-) 		no annotation 3 ASP A  96
PHE A  91
SER A  84
 ZN  A 301 (-2.5A)
None
None
 0.75A 3i5uB-6fjuA:
undetectable		 3i5uB-6fjuA:
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.
6fno -

(-) 		no annotation 3 ASP A  96
PHE A  91
SER A  84
 ZN  A 201 (-2.1A)
None
None
 0.82A 3i5uB-6fnoA:
undetectable		 3i5uB-6fnoA:
undetectable