SIMILAR PATTERNS OF AMINO ACIDS FOR 1Q8J_B_C2FB802_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.
1apy ASPARTYLGLUCOSAMINID
ASE
ASPARTYLGLUCOSAMINID
ASE

(Homo sapiens;
Homo sapiens) 		PF01112
(Asparaginase_2)
PF01112
(Asparaginase_2) 		5 ASN B 285
GLY B 256
SER A   2
GLY B 193
ILE B 189
 NAG  B 511 (-1.9A)
NAG  B 511 ( 4.3A)
None
None
None
 1.01A 1q8jB-1apyB:
undetectable		 1q8jB-1apyB:
15.56
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ASN A  92
GLY A  74
ASP A  90
ILE A 533
GLY A 483
 PTT  A 800 (-3.5A)
None
None
None
None
 1.13A 1q8jB-1b25A:
undetectable		 1q8jB-1b25A:
23.63
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.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 GLY A  23
ASP A  86
ASN A 105
GLY A 209
SER A 211
 None
PMM  A 301 (-3.2A)
PMM  A 301 (-2.9A)
PMM  A 301 (-3.5A)
None
 1.09A 1q8jB-1eyeA:
19.6		 1q8jB-1eyeA:
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		7 ASN A  96
SER A  97
ILE A 120
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.76A 1q8jB-1f6yA:
14.5		 1q8jB-1f6yA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		9 GLU A   6
ASN A   9
ASP A  75
ASN A  96
ILE A 120
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.58A 1q8jB-1f6yA:
14.5		 1q8jB-1f6yA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ft9 CARBON MONOXIDE
OXIDATION SYSTEM
TRANSCRIPTION
REGULATOR

(Rhodospirillum
rubrum) 		PF13545
(HTH_Crp_2) 		5 GLU A  89
GLY A  71
SER A  32
SER A  25
ILE A  27
 None
 1.15A 1q8jB-1ft9A:
undetectable		 1q8jB-1ft9A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU B 803
ASN B 804
GLY B 871
ILE B 666
SER B 513
 None
 0.98A 1q8jB-1gl9B:
undetectable		 1q8jB-1gl9B:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 GLU A  75
ILE A  65
GLY A  51
ASN A  49
ILE A  58
 None
None
None
ADP  A 590 ( 4.8A)
None
 1.07A 1q8jB-1ii0A:
2.3		 1q8jB-1ii0A:
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ASN A 383
GLY A 250
ASN A 484
GLY A 237
ILE A 399
 None
 1.22A 1q8jB-1m64A:
undetectable		 1q8jB-1m64A:
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		5 ASP A 101
ASN A 120
ILE A 143
GLY A 216
SER A 218
 HH2  A 282 (-3.4A)
HH2  A 282 (-2.7A)
HH2  A 282 (-4.1A)
HH2  A 282 (-3.3A)
None
 0.63A 1q8jB-1twwA:
21.8		 1q8jB-1twwA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A 184
SER A 210
ILE A 129
GLY A 138
ILE A 155
 None
 1.05A 1q8jB-1vb3A:
undetectable		 1q8jB-1vb3A:
22.59
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 GLY A  50
ASN A  79
ILE A  74
GLY A  18
ILE A  17
 None
 0.98A 1q8jB-1wtaA:
undetectable		 1q8jB-1wtaA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 GLY A  50
ASN A  79
SER A  44
GLY A  18
ILE A  17
 None
 1.19A 1q8jB-1wtaA:
undetectable		 1q8jB-1wtaA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xbf CLOSTRIDIUM
ACETOBUTYLICUM
Q97KL0

(Clostridium
acetobutylicum) 		PF01894
(UPF0047) 		5 ASN A  22
ILE A  99
GLY A 113
ASN A  54
ILE A 114
 None
 1.06A 1q8jB-1xbfA:
undetectable		 1q8jB-1xbfA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 GLU A 211
ASN A 206
GLY A  55
GLY A  79
SER A  77
 None
 1.21A 1q8jB-2a6vA:
undetectable		 1q8jB-2a6vA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bht CYSTEINE SYNTHASE B

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 253
ASP A  42
ILE A  79
GLY A  73
SER A  69
 None
None
None
None
PLP  A 320 ( 4.5A)
 1.01A 1q8jB-2bhtA:
undetectable		 1q8jB-2bhtA:
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASN A 551
ASP A 636
ASN A 655
ILE A 679
SER A 805
 PMM  A1865 ( 3.8A)
PMM  A1865 (-3.3A)
PMM  A1865 (-2.9A)
PMM  A1865 ( 4.7A)
None
 0.91A 1q8jB-2bmbA:
18.9		 1q8jB-2bmbA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 636
ASN A 655
ILE A 679
GLY A 803
SER A 805
 PMM  A1865 (-3.3A)
PMM  A1865 (-2.9A)
PMM  A1865 ( 4.7A)
PMM  A1865 (-3.5A)
None
 0.57A 1q8jB-2bmbA:
18.9		 1q8jB-2bmbA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 GLU A 271
ASN A 273
ASP A  21
ILE A  51
GLY A  14
 None
 1.10A 1q8jB-2cevA:
undetectable		 1q8jB-2cevA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		5 GLY A  25
ASP A 179
ILE A 177
GLY A  81
SER A  77
 GOL  A1391 ( 4.7A)
PLP  A1390 (-3.0A)
None
None
PLP  A1390 (-2.7A)
 1.20A 1q8jB-2ch1A:
2.2		 1q8jB-2ch1A:
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		5 GLU A 111
GLY A 128
ASP A 207
SER A 388
ASN A  44
 None
None
None
None
VO4  A 801 ( 2.1A)
 0.90A 1q8jB-2d1gA:
undetectable		 1q8jB-2d1gA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dej PROBABLE
GALACTOKINASE

(Pyrococcus
horikoshii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 GLU A 109
GLY A 146
SER A  81
GLY A  73
ILE A  74
 None
GLA  A 401 (-3.4A)
None
None
None
 1.11A 1q8jB-2dejA:
undetectable		 1q8jB-2dejA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		5 GLY A  98
ASN A 216
SER A 178
GLY A 121
ASN A 117
 None
 1.18A 1q8jB-2jerA:
undetectable		 1q8jB-2jerA:
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		5 GLY A  24
ILE A 266
GLY A 191
SER A 149
ILE A 188
 None
 1.06A 1q8jB-2o04A:
undetectable		 1q8jB-2o04A:
20.45
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.
2o3c APEX NUCLEASE 1

(Danio rerio) 		PF03372
(Exo_endo_phos) 		5 ASN A  61
GLY A 202
ASP A 300
ASN A 167
ARG A 149
 None
 1.21A 1q8jB-2o3cA:
2.6		 1q8jB-2o3cA:
19.86
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.
2osa N-CHIMAERIN

(Homo sapiens) 		PF00620
(RhoGAP) 		5 GLU A 291
ASP A 335
ASN A 337
GLY A 296
SER A 294
 None
 1.20A 1q8jB-2osaA:
undetectable		 1q8jB-2osaA:
17.22
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A  51
ASP A 104
ILE A  81
ASN A 115
ILE A 117
 None
 1.22A 1q8jB-2pa6A:
7.6		 1q8jB-2pa6A:
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.
2x3m HYPOTHETICAL PROTEIN
ORF239

(Pyrobaculum
spherical virus) 		no annotation 5 GLY A 121
ILE A 181
GLY A 218
SER A 220
ILE A 217
 None
 1.13A 1q8jB-2x3mA:
undetectable		 1q8jB-2x3mA:
20.89
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.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		9 ASN A  10
ASN A  97
SER A  98
ILE A 121
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.67A 1q8jB-2ycjA:
13.6		 1q8jB-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		10 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.47A 1q8jB-2ycjA:
13.6		 1q8jB-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 GLU A 795
GLY A 683
ILE A 807
GLY A 764
ILE A 800
 None
 1.10A 1q8jB-2yhgA:
undetectable		 1q8jB-2yhgA:
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A 394
GLY A 358
SER A 183
GLY A 105
ILE A 225
 None
None
FAD  A 700 (-2.7A)
None
None
 1.11A 1q8jB-2z1qA:
undetectable		 1q8jB-2z1qA:
24.26
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 GLU A 160
SER A 176
GLY A 151
SER A 406
ILE A 150
 None
 1.11A 1q8jB-2zj8A:
2.4		 1q8jB-2zj8A:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ztu D(-)-3-HYDROXYBUTYRA
TE DEHYDROGENASE

(Pseudomonas
fragi) 		PF13561
(adh_short_C2) 		5 GLY A  48
ASN A  90
ILE A 140
GLY A 232
ILE A  20
 None
NAD  A 300 (-3.2A)
None
None
None
 1.22A 1q8jB-2ztuA:
2.4		 1q8jB-2ztuA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		10 GLU A 320
ASN A 323
GLY A 326
ASP A 390
ASN A 411
SER A 412
ILE A 435
GLY A 505
SER A 507
ILE A 536
 None
 0.44A 1q8jB-3bolA:
58.7		 1q8jB-3bolA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLY A 326
ASN A 411
SER A 412
ILE A 435
GLY A 505
SER A 507
ASN A 508
 None
 0.83A 1q8jB-3bolA:
58.7		 1q8jB-3bolA:
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.
3eni BACTERIOCHLOROPHYLL
A PROTEIN

(Chlorobaculum
tepidum) 		PF02327
(BChl_A) 		5 GLY A 355
ASP A 233
SER A 236
ILE A 235
GLY A 196
 None
BCL  A 375 ( 4.6A)
None
None
None
 1.16A 1q8jB-3eniA:
undetectable		 1q8jB-3eniA:
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 GLU P 341
ASN P 359
GLY P 375
SER P 323
ILE P 340
 CA  P 481 (-2.2A)
CA  P 483 (-3.2A)
CA  P 489 (-4.3A)
None
None
 1.10A 1q8jB-3hbuP:
undetectable		 1q8jB-3hbuP:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		5 ASN A 189
GLY A 168
ASN A 192
ILE A 204
GLY A 173
 None
 1.16A 1q8jB-3i6sA:
2.2		 1q8jB-3i6sA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		9 GLU A 358
ASN A 361
ASP A 431
ASN A 452
GLY A 558
SER A 560
ASN A 561
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.52A 1q8jB-3k13A:
12.3		 1q8jB-3k13A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0s ADENYLATE KINASE

(Desulfovibrio
gigas) 		PF00406
(ADK) 		5 GLY A  33
SER A  11
ILE A 112
GLY A  17
ILE A   5
 None
TAR  A 225 (-3.3A)
None
None
None
 1.05A 1q8jB-3l0sA:
undetectable		 1q8jB-3l0sA:
17.11
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 GLU A 135
ASN A 134
SER A 125
GLY A  90
ILE A  91
 None
 1.01A 1q8jB-3ldaA:
3.0		 1q8jB-3ldaA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 373
ASN A 164
SER A 161
ILE A 160
GLY A 356
 None
 1.03A 1q8jB-3lgxA:
undetectable		 1q8jB-3lgxA:
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.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		5 GLY A 347
ASN A 374
GLY A 275
ASN A 276
ILE A 294
 None
 1.10A 1q8jB-3mveA:
2.3		 1q8jB-3mveA:
24.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		5 GLY A  22
ASN A 132
SER A 128
GLY A  79
ILE A  78
 None
 1.12A 1q8jB-3povA:
undetectable		 1q8jB-3povA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 209
ASN A  54
SER A  10
GLY A  92
ASN A  93
 None
None
None
None
MN  A 513 (-2.9A)
 1.11A 1q8jB-3qfkA:
2.4		 1q8jB-3qfkA:
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 GLY A 137
ILE A  24
GLY A  63
SER A  68
ILE A  26
 None
 0.91A 1q8jB-3r0oA:
undetectable		 1q8jB-3r0oA:
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.
3ttk POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 SER A 180
ILE A 184
GLY A 240
SER A 242
ILE A 136
 None
 1.06A 1q8jB-3ttkA:
undetectable		 1q8jB-3ttkA:
22.41
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 ASN A 154
GLY A  72
SER A 205
GLY A 146
ILE A 149
 OLC  A 505 ( 3.6A)
None
OLC  A 505 (-3.2A)
None
None
 1.18A 1q8jB-3wbnA:
undetectable		 1q8jB-3wbnA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ASN A 343
GLY A 341
ILE A 379
GLY A 156
SER A 346
 None
 1.13A 1q8jB-3wxyA:
undetectable		 1q8jB-3wxyA:
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 147
SER A  69
ILE A 311
GLY A 105
ILE A 106
 None
 1.09A 1q8jB-3zz1A:
4.5		 1q8jB-3zz1A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 GLY A1836
SER A1855
GLY A1718
ASN A1719
ILE A1717
 None
 1.01A 1q8jB-4asiA:
undetectable		 1q8jB-4asiA:
22.65
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 GLY A1836
SER A1855
ILE A1751
GLY A1718
ASN A1719
 None
 1.18A 1q8jB-4asiA:
undetectable		 1q8jB-4asiA:
22.65
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 244
ILE I 345
GLY I 297
ASN I 298
ILE I 213
 None
 1.16A 1q8jB-4c1nI:
undetectable		 1q8jB-4c1nI:
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 SER A  40
ILE A  39
GLY A   8
SER A  56
ILE A   9
 None
 1.15A 1q8jB-4c22A:
undetectable		 1q8jB-4c22A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		9 GLU A 376
ASN A 379
ASP A 449
ASN A 470
GLY A 576
SER A 578
ASN A 579
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.58A 1q8jB-4cczA:
37.0		 1q8jB-4cczA:
30.69
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.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 SER A 238
ILE A 237
GLY A 212
ASN A 200
ILE A 213
 None
 1.19A 1q8jB-4drtA:
undetectable		 1q8jB-4drtA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ASP A 107
ILE A  55
GLY A 133
SER A 314
ASN A 311
 None
 1.11A 1q8jB-4dvjA:
3.0		 1q8jB-4dvjA:
23.43
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 GLU A 150
GLY A 124
ILE A 304
GLY A 318
SER A 329
 None
 1.16A 1q8jB-4eb5A:
undetectable		 1q8jB-4eb5A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLU B1468
SER B1491
GLY B1460
SER B1726
ILE B1459
 None
 1.22A 1q8jB-4f92B:
2.0		 1q8jB-4f92B:
16.97
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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 GLU A  95
ASN A  65
ILE A  82
ASN A 120
ILE A  96
 None
 1.17A 1q8jB-4fs7A:
undetectable		 1q8jB-4fs7A:
23.67
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.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 GLY A  52
ASN A  81
SER A  46
GLY A  20
ILE A  19
 None
 1.20A 1q8jB-4glfA:
undetectable		 1q8jB-4glfA:
20.32
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		5 GLY A 136
ILE A 177
GLY A 219
ARG A 306
ILE A 217
 None
 1.07A 1q8jB-4grxA:
undetectable		 1q8jB-4grxA:
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 GLU A 328
GLY A 324
ILE A 395
GLY A 330
ILE A 329
 None
 1.05A 1q8jB-4hzhA:
undetectable		 1q8jB-4hzhA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A 518
ILE A 210
GLY A 238
SER A 241
ARG A  98
 FAD  A 601 ( 3.5A)
None
None
None
TSR  A 602 ( 4.3A)
 1.17A 1q8jB-4iv9A:
undetectable		 1q8jB-4iv9A:
23.15
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A 518
ILE A 210
GLY A 238
SER A 241
ILE A 239
 FAD  A 601 ( 3.5A)
None
None
None
None
 1.18A 1q8jB-4iv9A:
undetectable		 1q8jB-4iv9A:
23.15
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		5 GLY A 111
ASN A 341
SER A 339
ILE A 343
ILE A 360
 None
 1.16A 1q8jB-4kgbA:
undetectable		 1q8jB-4kgbA:
23.83
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 ASP H 170
ILE H 168
GLY H  77
SER H  73
ILE H  78
 PLP  H 401 (-3.2A)
None
None
PLP  H 401 (-3.5A)
None
 1.06A 1q8jB-4l0oH:
undetectable		 1q8jB-4l0oH:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 ASN A  10
ASN A  97
SER A  98
ILE A 121
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.10A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.17A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 ASP A  76
ASN A  97
ILE A 121
GLY A 196
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 1.06A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
 1.23A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ASN A  97
SER A  98
ILE A 121
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-4.3A)
 0.73A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.52A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ASN A 150
GLY A 147
ASN A 176
ILE A 212
GLY A 121
 None
 1.11A 1q8jB-4qdiA:
3.1		 1q8jB-4qdiA:
23.89
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.
4rk0 LACI FAMILY
SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		5 GLY A 208
SER A 331
ILE A 266
GLY A 243
ILE A 244
 None
 1.08A 1q8jB-4rk0A:
undetectable		 1q8jB-4rk0A:
19.72
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLU A 144
GLY A 250
ASP A 137
SER A 168
ILE A 171
 None
None
XYL  A 401 ( 4.8A)
None
None
 1.19A 1q8jB-4rs3A:
2.0		 1q8jB-4rs3A:
20.34
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 250
ASP A 137
SER A 168
ILE A 171
GLY A 163
 None
XYL  A 401 ( 4.8A)
None
None
None
 1.11A 1q8jB-4rs3A:
2.0		 1q8jB-4rs3A:
20.34
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 GLU A 101
GLY A 130
ILE A 342
GLY A 166
ILE A 169
 None
 1.15A 1q8jB-4w99A:
undetectable		 1q8jB-4w99A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdy KETOL-ACID
REDUCTOISOMERASE

(uncultured
archaeon
GZfos26G2) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 150
ASP A  11
GLY A  39
ARG A 142
ILE A  40
 None
None
None
GOL  A 405 (-3.9A)
None
 1.04A 1q8jB-4xdyA:
undetectable		 1q8jB-4xdyA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afd N-ACETYLNEURAMINATE
LYASE

(Aliivibrio
salmonicida) 		PF00701
(DHDPS) 		5 ASN A 168
GLY A 170
ILE A  51
GLY A 106
ILE A 105
 None
None
EDO  A1302 ( 4.7A)
None
EDO  A1302 ( 4.3A)
 0.98A 1q8jB-5afdA:
6.0		 1q8jB-5afdA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 GLU A 329
ASN A 347
GLY A 363
SER A 311
ILE A 328
 GLU  A 329 (-0.6A)
ASN  A 347 (-0.6A)
GLY  A 363 (-0.0A)
SER  A 311 ( 0.0A)
ILE  A 328 ( 0.7A)
 1.12A 1q8jB-5d7wA:
undetectable		 1q8jB-5d7wA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		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 GLY A1232
ASN A  72
GLY A 346
ASN A 436
ILE A 349
 None
FES  A3002 ( 3.8A)
None
None
FAD  A3004 ( 4.3A)
 1.08A 1q8jB-5epgA:
undetectable		 1q8jB-5epgA:
18.66
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.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A  42
ASN A  71
SER A  36
GLY A  10
ILE A   9
 None
 1.18A 1q8jB-5f7oA:
undetectable		 1q8jB-5f7oA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 ASN A 177
GLY A 179
ASN A 323
GLY A  75
ILE A  74
 None
 1.18A 1q8jB-5f9aA:
undetectable		 1q8jB-5f9aA:
20.38
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 GLU A 205
SER A  38
ILE A 375
GLY A  95
ARG A 304
 None
 1.02A 1q8jB-5fjnA:
undetectable		 1q8jB-5fjnA:
23.70
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 GLY A 124
ASP A 219
ILE A 302
GLY A  80
SER A  83
 None
61P  A 406 (-2.9A)
None
61P  A 406 (-4.1A)
61P  A 406 (-3.0A)
 1.19A 1q8jB-5hctA:
undetectable		 1q8jB-5hctA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		5 GLU A  77
GLY A 246
ASP A  84
ILE A 139
GLY A 132
 None
None
None
EDO  A 603 ( 4.4A)
None
 1.21A 1q8jB-5m77A:
undetectable		 1q8jB-5m77A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 GLY A 121
ASP A  99
SER A  97
ILE A  96
ILE A  33
 None
 1.17A 1q8jB-5no8A:
undetectable		 1q8jB-5no8A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 262
GLY A 287
ILE A 234
SER A 163
ILE A 248
 None
 1.18A 1q8jB-5nz7A:
undetectable		 1q8jB-5nz7A:
21.47
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 472
GLY A 465
ASP A 483
SER A 420
ILE A 475
 None
 1.14A 1q8jB-5opqA:
7.4		 1q8jB-5opqA:
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.
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
wolfeii) 		PF01493
(GXGXG) 		5 GLY C  99
ILE C 192
GLY C 163
SER C 138
ILE C 162
 None
 0.93A 1q8jB-5t5iC:
undetectable		 1q8jB-5t5iC:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 ASN A 376
ASN A 464
SER A 465
GLY A 570
SER A 572
 NA  A3005 (-3.0A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
 0.80A 1q8jB-5vopA:
25.6		 1q8jB-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 9 GLU A 373
ASN A 376
ASP A 443
ASN A 464
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.51A 1q8jB-5vopA:
25.6		 1q8jB-5vopA:
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY B 223
ASN B  65
SER B  63
GLY B  82
SER B  79
 None
 1.07A 1q8jB-5w3jB:
undetectable		 1q8jB-5w3jB:
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 GLY A 428
ASP A 253
ILE A 171
GLY A  22
ARG A 319
 ATP  A 701 (-3.3A)
None
None
None
ATP  A 701 (-3.7A)
 1.19A 1q8jB-5ya1A:
undetectable		 1q8jB-5ya1A:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 343
GLY A 441
ILE A  90
GLY A  78
ILE A 342
 None
 1.13A 1q8jB-5ykdA:
2.5		 1q8jB-5ykdA:
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.
6bka NITRONATE
MONOOXYGENASE

(Cyberlindnera
mrakii) 		no annotation 5 GLY A 350
ASN A  75
SER A 145
ILE A 143
ILE A  19
 FMN  A 401 ( 3.9A)
None
None
None
None
 1.01A 1q8jB-6bkaA:
6.9		 1q8jB-6bkaA:
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 5 GLY P 132
SER P 145
ILE P 368
GLY P 183
ILE P 372
 None
 1.12A 1q8jB-6c1dP:
3.5		 1q8jB-6c1dP:
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
BETA
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation 		5 GLU L  85
GLY K  28
SER K  58
ILE K  59
ILE L 313
 None
 1.10A 1q8jB-6cfwL:
undetectable		 1q8jB-6cfwL:
undetectable