SIMILAR PATTERNS OF AMINO ACIDS FOR 3I5U_A_SAMA401_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.
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
 1.05A 3i5uA-1clwA:
undetectable		 3i5uA-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
 1.18A 3i5uA-1clwA:
undetectable		 3i5uA-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
 1.04A 3i5uA-1d8cA:
undetectable		 3i5uA-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
 1.13A 3i5uA-1e1kA:
3.8		 3i5uA-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.
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
 1.05A 3i5uA-1efpA:
undetectable		 3i5uA-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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 TRP A 151
PHE A 164
MET A 168
GLY A 197
GLY A 198
TRP A 259
 SAH  A1699 ( 3.8A)
HMO  A2000 (-4.9A)
HMO  A2000 ( 4.0A)
SAH  A1699 ( 4.2A)
SAH  A1699 ( 3.9A)
None
 0.63A 3i5uA-1fp2A:
29.6		 3i5uA-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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 TRP A 151
PHE A 164
MET A 168
GLY A 198
TRP A 259
 SAH  A1699 ( 3.8A)
HMO  A2000 (-4.9A)
HMO  A2000 ( 4.0A)
SAH  A1699 ( 3.9A)
None
 0.98A 3i5uA-1fp2A:
29.6		 3i5uA-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
 0.32A 3i5uA-1fpqA:
14.8		 3i5uA-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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE

(Nicotiana
tabacum) 		PF01208
(URO-D) 		5 PHE A 105
LEU A  84
GLY A 164
GLY A 163
PRO A 107
 None
 1.11A 3i5uA-1j93A:
undetectable		 3i5uA-1j93A:
24.32
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 LEU A  16
GLY A 286
GLY A 285
ALA A  13
ASP A 180
 None
 1.12A 3i5uA-1jcfA:
undetectable		 3i5uA-1jcfA:
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.
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
 1.19A 3i5uA-1m3uA:
undetectable		 3i5uA-1m3uA:
24.29
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
 0.77A 3i5uA-1qzzA:
35.3		 3i5uA-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.
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
 1.07A 3i5uA-1ulsA:
6.0		 3i5uA-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.
1z3q THAUMATIN-LIKE
PROTEIN

(Musa acuminata) 		PF00314
(Thaumatin) 		5 PHE A   3
GLY A  41
GLY A  42
PRO A  19
ASP A  93
 None
 1.19A 3i5uA-1z3qA:
undetectable		 3i5uA-1z3qA:
22.43
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 PHE A 136
LEU A 345
GLY A 187
LEU A 202
ALA A 297
 MTE  A1501 (-3.5A)
None
None
SO4  A7503 (-3.8A)
MTE  A1501 (-3.7A)
 1.07A 3i5uA-2a9cA:
undetectable		 3i5uA-2a9cA:
26.47
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.
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 3i5uA-2b4gA:
undetectable		 3i5uA-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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 PHE A 627
GLY A 535
GLY A 536
PRO A 558
ALA A 542
 None
 1.13A 3i5uA-2bklA:
undetectable		 3i5uA-2bklA:
22.38
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.
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 3i5uA-2bx7A:
undetectable		 3i5uA-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.
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
 1.12A 3i5uA-2ecfA:
undetectable		 3i5uA-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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		5 PHE A 178
GLY A 291
GLY A 290
ALA A 359
ASP A 313
 None
None
AI2  A 501 ( 4.6A)
None
None
 1.22A 3i5uA-2hj9A:
2.4		 3i5uA-2hj9A:
23.21
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 HIS A 195
GLY A 166
LEU A 128
PRO A 169
ALA A 192
 None
 1.20A 3i5uA-2icsA:
undetectable		 3i5uA-2icsA:
21.36
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.
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
 0.99A 3i5uA-2ijzA:
undetectable		 3i5uA-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
 1.08A 3i5uA-2j7vA:
undetectable		 3i5uA-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
 1.14A 3i5uA-2o8rA:
undetectable		 3i5uA-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.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 LEU A 227
GLY A 194
GLY A 195
LEU A 114
ALA A  37
 None
EDO  A 280 ( 4.1A)
EDO  A 272 ( 3.1A)
None
None
 1.22A 3i5uA-2p4gA:
undetectable		 3i5uA-2p4gA:
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 PHE A 317
MET A 306
LEU A 305
GLY A 257
LEU A 264
 None
 1.20A 3i5uA-2q3oA:
undetectable		 3i5uA-2q3oA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 3i5uA-2qe8A:
undetectable		 3i5uA-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
 0.50A 3i5uA-2qyoA:
19.7		 3i5uA-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)
 1.20A 3i5uA-2qytA:
5.5		 3i5uA-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.
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 3i5uA-2wu5A:
undetectable		 3i5uA-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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 169
GLY A 230
LEU A 560
PRO A 561
ALA A 368
 None
 1.22A 3i5uA-2wu5A:
undetectable		 3i5uA-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.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 PHE A 117
GLY A 264
GLY A 265
ALA A 489
TRP A 503
 None
 1.22A 3i5uA-2wzfA:
undetectable		 3i5uA-2wzfA:
19.81
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.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		5 PHE A  76
LEU A 205
GLY A 133
LEU A  31
PRO A  34
 None
 0.99A 3i5uA-2x66A:
undetectable		 3i5uA-2x66A:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7m ARCHAEMETZINCIN

(Methanopyrus
kandleri) 		PF07998
(Peptidase_M54) 		5 PHE A 159
MET A 143
HIS A 125
GLY A 132
LEU A 171
 None
None
ZN  A1174 (-3.2A)
None
None
 1.20A 3i5uA-2x7mA:
undetectable		 3i5uA-2x7mA:
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.
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
 1.10A 3i5uA-3a21A:
undetectable		 3i5uA-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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		5 HIS P 164
GLY P 158
GLY P 159
ALA P 128
TRP P 298
 None
 1.21A 3i5uA-3c5wP:
undetectable		 3i5uA-3c5wP:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A  66
GLY A 377
GLY A 376
PRO A 369
ALA A 395
 None
 1.20A 3i5uA-3g5sA:
undetectable		 3i5uA-3g5sA:
22.96
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.
3gov MASP-1

(Homo sapiens) 		PF00089
(Trypsin) 		5 MET B 650
LEU B 662
GLY B 647
GLY B 648
TRP B 668
 None
 1.20A 3i5uA-3govB:
undetectable		 3i5uA-3govB:
20.25
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
 1.08A 3i5uA-3gxoA:
36.0		 3i5uA-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) 		7 TRP A 146
PHE A 159
MET A 163
GLY A 191
GLY A 192
ASP A 260
TRP A 261
 SAH  A 350 ( 4.0A)
MQA  A 351 (-4.6A)
SAH  A 350 ( 3.7A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.6A)
MQA  A 351 (-2.8A)
None
 0.66A 3i5uA-3gxoA:
36.0		 3i5uA-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
 1.09A 3i5uA-3heoA:
undetectable		 3i5uA-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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 TRP A 323
PHE A 223
LEU A 240
GLY A 273
GLY A 270
 None
 1.19A 3i5uA-3hoaA:
undetectable		 3i5uA-3hoaA:
23.31
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.
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 3i5uA-3i4jA:
undetectable		 3i5uA-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) 		7 PHE A 146
MET A 150
HIS A 153
GLY A 177
LEU A 201
PRO A 204
ALA A 243
 None
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)
 0.96A 3i5uA-3i58A:
49.7		 3i5uA-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
PHE A 146
MET A 150
HIS A 153
LEU A 154
GLY A 178
GLY A 179
LEU A 201
PRO A 204
ALA A 243
ASP A 247
TRP A 248
 SAH  A 401 (-3.8A)
None
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)
7NA  A 402 ( 3.7A)
SAH  A 401 (-4.6A)
None
 0.21A 3i5uA-3i58A:
49.7		 3i5uA-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.
3jq1 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A 111
MET A 107
LEU A 103
GLY A  66
GLY A  63
 None
 1.15A 3i5uA-3jq1A:
undetectable		 3i5uA-3jq1A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 3i5uA-3kljA:
undetectable		 3i5uA-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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 439
HIS A 435
GLY A 361
LEU A 365
ALA A 395
 None
 1.16A 3i5uA-3l84A:
undetectable		 3i5uA-3l84A:
20.16
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.
3lot UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF05853
(BKACE) 		5 PHE A 200
LEU A 248
GLY A 253
GLY A 254
ASP A 223
 None
 1.20A 3i5uA-3lotA:
undetectable		 3i5uA-3lotA:
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.
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
 1.16A 3i5uA-3mhuA:
undetectable		 3i5uA-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.
3nu1 HEMIN-BINDING
PERIPLASMIC PROTEIN

(Yersinia pestis) 		PF01497
(Peripla_BP_2) 		5 LEU A 268
GLY A 190
GLY A 189
PRO A 156
ALA A 183
 None
 1.22A 3i5uA-3nu1A:
2.4		 3i5uA-3nu1A:
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 PHE A 363
LEU A 371
GLY A 129
GLY A 128
ALA A 132
 None
 1.12A 3i5uA-3nv9A:
3.1		 3i5uA-3nv9A:
20.63
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.
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
 1.11A 3i5uA-3oixA:
undetectable		 3i5uA-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
 0.58A 3i5uA-3p9cA:
25.8		 3i5uA-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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 PHE A 136
LEU A 345
GLY A 187
LEU A 202
ALA A 297
 MTE  A 501 (-3.3A)
None
None
None
MTE  A 501 (-3.9A)
 1.13A 3i5uA-3r18A:
undetectable		 3i5uA-3r18A:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 PHE A 131
HIS A 133
GLY A  38
LEU A  36
ASP A 209
 None
ZN  A 288 ( 3.2A)
None
None
CIT  A 289 (-3.3A)
 1.21A 3i5uA-3rcmA:
undetectable		 3i5uA-3rcmA:
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 TRP A 657
HIS A 669
LEU A 703
GLY A 631
ALA A 665
 None
 1.20A 3i5uA-3ttfA:
undetectable		 3i5uA-3ttfA:
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 HIS B  75
LEU B  82
GLY B  67
GLY B  68
ALA B 138
 None
 1.22A 3i5uA-3u9rB:
undetectable		 3i5uA-3u9rB:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		5 PHE A 125
HIS A 237
LEU A 148
GLY A  23
ALA A  88
 None
SCN  A 270 (-3.8A)
GOL  A 267 (-4.7A)
GOL  A 267 ( 3.5A)
SCN  A 270 (-3.3A)
 1.04A 3i5uA-3v48A:
undetectable		 3i5uA-3v48A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wp9 ICE-BINDING PROTEIN

(Colwellia sp.
SLW05) 		PF11999
(DUF3494) 		5 PHE A 164
LEU A 154
GLY A 199
GLY A 181
LEU A 202
 None
 1.16A 3i5uA-3wp9A:
undetectable		 3i5uA-3wp9A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3i5uA-4a05A:
undetectable		 3i5uA-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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 PHE A 156
GLY A 188
GLY A 189
ASP A 256
TRP A 257
 ASE  A1350 ( 4.9A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
None
 0.54A 3i5uA-4a6eA:
30.8		 3i5uA-4a6eA:
27.39
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 LEU A 253
GLY A 189
GLY A 187
LEU A 216
ALA A 194
 None
 1.22A 3i5uA-4aecA:
2.2		 3i5uA-4aecA:
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 MET A 340
GLY A 756
GLY A 751
PRO A 748
ALA A 408
 None
 0.92A 3i5uA-4bq4A:
undetectable		 3i5uA-4bq4A:
19.73
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.
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)
 1.00A 3i5uA-4crsA:
undetectable		 3i5uA-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.
4dfs GLYCOSIDE HYDROLASE,
FAMILY 16

(Thermotoga
petrophila) 		PF00722
(Glyco_hydro_16) 		5 HIS A 141
LEU A 139
GLY A 230
GLY A 229
ASP A 237
 None
 1.22A 3i5uA-4dfsA:
undetectable		 3i5uA-4dfsA:
21.07
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 PHE A 196
GLY A 167
GLY A 168
ALA A 132
ASP A 129
 None
 1.21A 3i5uA-4eb0A:
2.3		 3i5uA-4eb0A:
21.69
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.
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
 1.06A 3i5uA-4eviA:
25.3		 3i5uA-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) 		7 PHE A 175
MET A 179
GLY A 209
GLY A 210
LEU A 232
ASP A 272
TRP A 273
 SAH  A 401 (-4.8A)
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
 0.52A 3i5uA-4eviA:
25.3		 3i5uA-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.
4ezd UREA TRANSPORTER 1

(Bos taurus) 		PF03253
(UT) 		5 LEU A 345
GLY A 293
GLY A 294
PRO A 365
ALA A 288
 None
 1.22A 3i5uA-4ezdA:
undetectable		 3i5uA-4ezdA:
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.
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
 1.13A 3i5uA-4hr3A:
undetectable		 3i5uA-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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		5 GLY A  50
GLY A  49
LEU A 183
ALA A  91
ASP A  89
 None
 1.21A 3i5uA-4hwvA:
undetectable		 3i5uA-4hwvA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3i5uA-4i5uA:
undetectable		 3i5uA-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.
4igd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 MET A 650
LEU A 662
GLY A 647
GLY A 648
TRP A 668
 None
None
None
None
GOL  A 702 (-3.9A)
 1.21A 3i5uA-4igdA:
undetectable		 3i5uA-4igdA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		5 PHE A 185
MET A 181
GLY A 188
LEU A 112
ALA A 336
 None
 1.05A 3i5uA-4ikvA:
undetectable		 3i5uA-4ikvA:
23.11
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.
4jru THAUMATIN-LIKE
PROTEIN

(Vitis vinifera) 		PF00314
(Thaumatin) 		5 PHE A  27
GLY A  65
GLY A  66
PRO A  43
ASP A 117
 None
 1.17A 3i5uA-4jruA:
undetectable		 3i5uA-4jruA:
19.88
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.
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 3i5uA-4obsA:
undetectable		 3i5uA-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
 0.62A 3i5uA-4pghA:
25.5		 3i5uA-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
 1.18A 3i5uA-4q0gA:
undetectable		 3i5uA-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.
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
 0.98A 3i5uA-4ut1A:
undetectable		 3i5uA-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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		5 LEU A 136
GLY A 111
GLY A 112
PRO A 233
ASP A 226
 None
 1.19A 3i5uA-4wj0A:
undetectable		 3i5uA-4wj0A:
23.32
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.
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 3i5uA-4wzhA:
undetectable		 3i5uA-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.
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 3i5uA-4yhjA:
undetectable		 3i5uA-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 3i5uA-4yioA:
undetectable		 3i5uA-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)
 1.09A 3i5uA-4yswA:
undetectable		 3i5uA-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.
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
 1.19A 3i5uA-5bp7A:
14.1		 3i5uA-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) 		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 3i5uA-5cvvA:
28.6		 3i5uA-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) 		8 TRP A 166
PHE A 179
MET A 183
GLY A 212
GLY A 213
LEU A 235
ASP A 273
TRP A 274
 SAH  A 401 ( 3.6A)
None
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
 0.45A 3i5uA-5cvvA:
28.6		 3i5uA-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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 PHE A 313
MET A 302
LEU A 301
GLY A 251
LEU A 258
 None
 1.10A 3i5uA-5dxxA:
undetectable		 3i5uA-5dxxA:
23.06
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.
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
 1.19A 3i5uA-5epeA:
12.5		 3i5uA-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
 0.94A 3i5uA-5gmsA:
3.4		 3i5uA-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.
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
 1.22A 3i5uA-5lkdA:
undetectable		 3i5uA-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.
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
 1.20A 3i5uA-5t8yA:
undetectable		 3i5uA-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.
5vqj EXO-BETA-1,4-XYLANAS
E

(unidentified) 		no annotation 5 PHE A  18
LEU A   5
GLY A  51
GLY A  52
ASP A 191
 None
 1.13A 3i5uA-5vqjA:
undetectable		 3i5uA-5vqjA:
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.
5wyb PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B  83
LEU B 144
GLY B 124
GLY B  77
ALA B 155
 MRD  B 301 (-4.3A)
None
None
MRD  B 301 ( 4.8A)
MRD  B 301 (-4.2A)
 1.21A 3i5uA-5wybB:
undetectable		 3i5uA-5wybB:
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 6 PHE A 171
MET A 175
GLY A 204
GLY A 205
LEU A 227
TRP A 266
 8B6  A 402 ( 4.9A)
8B6  A 402 ( 3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
None
 0.34A 3i5uA-5xohA:
26.7		 3i5uA-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.
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
 1.06A 3i5uA-5yeqA:
4.4		 3i5uA-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
 1.13A 3i5uA-5yp3A:
undetectable		 3i5uA-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.
6az5 ALPHA-AMYLASE

([Eubacterium]
rectale) 		no annotation 5 LEU A 404
GLY A 472
GLY A 471
ALA A 461
TRP A 416
 None
 1.11A 3i5uA-6az5A:
undetectable		 3i5uA-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
 1.06A 3i5uA-6cyzA:
undetectable		 3i5uA-6cyzA:
undetectable