SIMILAR PATTERNS OF AMINO ACIDS FOR 3I5U_B_SAMB401_0

List of similar pattern of amino acids derived from ASSAM search

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

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