SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_A_SAMA501

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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 392
PRO A 398
GLU A 449
LEU A 371
ALA A 375
 None
 1.12A 5o96A-1atiA:
2.8
5o96B-1atiA:
undetectable		 5o96A-1atiA:
19.56
5o96B-1atiA:
19.56
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.
1buu PROTEIN
(MANNOSE-BINDING
PROTEIN A)

(Rattus
norvegicus) 		PF00059
(Lectin_C) 		5 LEU A 127
GLU A 218
GLY A 133
VAL A 113
ALA A 215
 None
 1.13A 5o96A-1buuA:
undetectable
5o96B-1buuA:
undetectable		 5o96A-1buuA:
20.82
5o96B-1buuA:
20.82
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.
1bvs PROTEIN (HOLLIDAY
JUNCTION DNA
HELICASE RUVA)

(Mycobacterium
leprae) 		PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5) 		6 LEU A 192
GLU A 169
GLY A 152
LEU A 196
THR A 172
ALA A 195
 None
 1.13A 5o96A-1bvsA:
undetectable
5o96B-1bvsA:
undetectable		 5o96A-1bvsA:
23.11
5o96B-1bvsA:
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.
1bvs PROTEIN (HOLLIDAY
JUNCTION DNA
HELICASE RUVA)

(Mycobacterium
leprae) 		PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5) 		5 LEU A 192
LEU A 196
THR A 172
ALA A 195
GLN A 167
 None
 1.10A 5o96A-1bvsA:
undetectable
5o96B-1bvsA:
undetectable		 5o96A-1bvsA:
23.11
5o96B-1bvsA:
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.
1cov COXSACKIEVIRUS COAT
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		5 LEU 3 166
VAL 3 155
ARG 3 145
ALA 3 133
GLN 3 195
 None
 1.06A 5o96A-1cov3:
undetectable
5o96B-1cov3:
undetectable		 5o96A-1cov3:
20.68
5o96B-1cov3:
20.68
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.
1dp2 RHODANESE

(Bos taurus) 		PF00581
(Rhodanese) 		5 LEU A 126
GLY A 104
SER A  11
LEU A  15
ARG A  50
 None
 1.07A 5o96A-1dp2A:
undetectable
5o96B-1dp2A:
undetectable		 5o96A-1dp2A:
24.49
5o96B-1dp2A:
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.
1ey2 HOMOGENTISATE
1,2-DIOXYGENASE

(Homo sapiens) 		PF04209
(HgmA) 		6 LEU A 201
GLU A 209
LEU A 131
VAL A 206
THR A 302
ALA A 313
 None
 1.45A 5o96A-1ey2A:
undetectable
5o96B-1ey2A:
undetectable		 5o96A-1ey2A:
22.88
5o96B-1ey2A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 392
PRO A 398
GLU A 449
LEU A 371
ALA A 375
 None
 1.12A 5o96A-1ggmA:
2.5
5o96B-1ggmA:
2.4		 5o96A-1ggmA:
19.77
5o96B-1ggmA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hv6 ALGINATE LYASE

(Sphingomonas
sp.) 		PF05426
(Alginate_lyase) 		5 LEU A 217
GLY A 204
ARG A 263
THR A 260
ALA A 261
 None
 1.09A 5o96A-1hv6A:
undetectable
5o96B-1hv6A:
undetectable		 5o96A-1hv6A:
20.56
5o96B-1hv6A:
20.56
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 PRO A  48
GLY A 227
SER A  50
LEU A  44
ARG A 177
 None
 1.03A 5o96A-1iduA:
undetectable
5o96B-1iduA:
undetectable		 5o96A-1iduA:
17.63
5o96B-1iduA:
17.63
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 LEU A 290
SER A 257
VAL A 287
THR A 277
ALA A 276
 None
 1.11A 5o96A-1k8gA:
undetectable
5o96B-1k8gA:
undetectable		 5o96A-1k8gA:
21.86
5o96B-1k8gA:
21.86
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		5 GLY A 292
SER A 430
LEU A 433
ARG A 461
GLN A 279
 None
 1.13A 5o96A-1k9xA:
undetectable
5o96B-1k9xA:
undetectable		 5o96A-1k9xA:
19.57
5o96B-1k9xA:
19.57
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.
1msb MANNOSE-BINDING
PROTEIN-A

(Rattus rattus) 		PF00059
(Lectin_C) 		5 LEU A 127
GLU A 218
GLY A 133
VAL A 113
ALA A 215
 None
 1.00A 5o96A-1msbA:
undetectable
5o96B-1msbA:
undetectable		 5o96A-1msbA:
17.08
5o96B-1msbA:
17.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 GLY A 199
LEU A 218
ARG A 224
THR A 225
ALA A 228
 None
 1.00A 5o96A-1nxzA:
29.9
5o96B-1nxzA:
30.0		 5o96A-1nxzA:
49.59
5o96B-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		7 LEU A 171
PRO A 173
LEU A 218
VAL A 222
ARG A 224
THR A 225
ALA A 228
 None
 0.88A 5o96A-1nxzA:
29.9
5o96B-1nxzA:
30.0		 5o96A-1nxzA:
49.59
5o96B-1nxzA:
49.59
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		6 LEU A  74
PRO A  61
GLU A 159
GLY A  58
LEU A 149
ALA A 150
 None
None
None
FMN  A 702 (-3.3A)
None
None
 1.47A 5o96A-1ps9A:
undetectable
5o96B-1ps9A:
4.1		 5o96A-1ps9A:
18.61
5o96B-1ps9A:
18.61
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 LEU A 242
GLU A 303
SER A 243
THR A 301
ALA A 317
 None
NDG  A 804 ( 4.4A)
None
NAG  A 805 (-3.4A)
None
 0.83A 5o96A-1q5aA:
undetectable
5o96B-1q5aA:
undetectable		 5o96A-1q5aA:
14.27
5o96B-1q5aA:
14.27
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		5 LEU 3 165
VAL 3 154
ARG 3 144
ALA 3 132
GLN 3 194
 None
 1.14A 5o96A-1r1a3:
undetectable
5o96B-1r1a3:
undetectable		 5o96A-1r1a3:
21.17
5o96B-1r1a3:
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 326
GLY A 329
LEU A 318
ARG A 312
ALA A 315
 None
CAP  A 476 ( 4.3A)
None
None
None
 1.13A 5o96A-1rblA:
undetectable
5o96B-1rblA:
3.5		 5o96A-1rblA:
20.44
5o96B-1rblA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		5 LEU A 105
PRO A 131
LEU A 133
THR A 175
ALA A 172
 LEU  A 105 ( 0.6A)
PRO  A 131 ( 1.1A)
LEU  A 133 ( 0.6A)
THR  A 175 ( 0.8A)
ALA  A 172 ( 0.0A)
 1.06A 5o96A-1rynA:
undetectable
5o96B-1rynA:
2.1		 5o96A-1rynA:
22.13
5o96B-1rynA:
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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		5 LEU A 202
GLY A 183
SER A 200
LEU A 195
ALA A 191
 None
HPD  A 801 (-3.4A)
None
None
None
 1.08A 5o96A-1ub3A:
2.2
5o96B-1ub3A:
2.2		 5o96A-1ub3A:
23.39
5o96B-1ub3A:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 LEU A  75
PRO A 102
ARG A  90
THR A  93
ALA A  92
 None
 1.03A 5o96A-1v6zA:
21.1
5o96B-1v6zA:
17.8		 5o96A-1v6zA:
34.00
5o96B-1v6zA:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 GLY A 208
LEU A 227
ARG A 233
THR A 234
ALA A 237
 None
 0.71A 5o96A-1vhkA:
20.5
5o96B-1vhkA:
20.6		 5o96A-1vhkA:
32.32
5o96B-1vhkA:
32.32
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		5 LEU A 259
GLU A 273
LEU A 253
ARG A 277
ALA A 279
 None
 1.10A 5o96A-2a3nA:
undetectable
5o96B-2a3nA:
undetectable		 5o96A-2a3nA:
21.25
5o96B-2a3nA:
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.
2a5z HYPOTHETICAL PROTEIN
SO2946

(Shewanella
oneidensis) 		no annotation 5 PRO A 127
GLU A 156
GLY A 158
SER A 245
ARG A 150
 None
 0.83A 5o96A-2a5zA:
undetectable
5o96B-2a5zA:
undetectable		 5o96A-2a5zA:
19.57
5o96B-2a5zA:
19.57
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 LEU A 154
GLY A  91
LEU A 142
VAL A  69
ALA A 146
 None
 0.95A 5o96A-2cfmA:
undetectable
5o96B-2cfmA:
undetectable		 5o96A-2cfmA:
18.21
5o96B-2cfmA:
18.21
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLU A 281
GLY A 180
VAL A 274
ARG A 278
ALA A 263
 None
 1.12A 5o96A-2cvzA:
2.0
5o96B-2cvzA:
3.2		 5o96A-2cvzA:
20.26
5o96B-2cvzA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfj DIADENOSINETETRAPHOS
PHATASE

(Shigella
flexneri) 		PF00149
(Metallophos) 		5 LEU A  38
GLY A   7
VAL A  62
ARG A  60
GLN A 109
 None
 1.12A 5o96A-2dfjA:
undetectable
5o96B-2dfjA:
undetectable		 5o96A-2dfjA:
24.21
5o96B-2dfjA:
24.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		6 LEU A 161
GLY A 189
LEU A 208
ARG A 214
THR A 215
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
None
SAH  A 300 ( 4.5A)
SAH  A 300 ( 3.6A)
 1.00A 5o96A-2egwA:
26.6
5o96B-2egwA:
26.7		 5o96A-2egwA:
31.23
5o96B-2egwA:
31.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
GAMMA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF04268
(SoxG) 		5 LEU C  82
GLY C  74
LEU C 164
ARG C 167
ALA C 153
 None
 1.10A 5o96A-2gahC:
undetectable
5o96B-2gahC:
undetectable		 5o96A-2gahC:
20.32
5o96B-2gahC:
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 PRO A 582
GLU A 473
GLY A 475
LEU A 579
GLN A  61
 None
 1.14A 5o96A-2gq3A:
2.7
5o96B-2gq3A:
2.5		 5o96A-2gq3A:
16.45
5o96B-2gq3A:
16.45
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 LEU A 200
GLU A 243
LEU A 252
THR A 246
ALA A 249
 None
 1.09A 5o96A-2gzxA:
2.9
5o96B-2gzxA:
2.2		 5o96A-2gzxA:
23.15
5o96B-2gzxA:
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 219
GLY A 214
ARG A  81
THR A  80
ALA A  79
 None
 1.08A 5o96A-2hqmA:
2.3
5o96B-2hqmA:
2.6		 5o96A-2hqmA:
20.17
5o96B-2hqmA:
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.
2j5u MREC PROTEIN

(Listeria
monocytogenes) 		PF04085
(MreC) 		5 GLU A 172
GLY A 159
SER A 122
VAL A 135
ALA A 169
 None
 1.10A 5o96A-2j5uA:
undetectable
5o96B-2j5uA:
undetectable		 5o96A-2j5uA:
21.69
5o96B-2j5uA:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 GLU B1222
GLY B1144
LEU B1123
THR B1223
ALA B1224
 None
 1.09A 5o96A-2nvuB:
4.6
5o96B-2nvuB:
4.2		 5o96A-2nvuB:
15.66
5o96B-2nvuB:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbe BIPOLAR KINESIN
KRP-130

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 LEU C 147
GLY C 201
LEU C 154
THR C 221
GLN C 215
 None
 1.12A 5o96A-2wbeC:
2.1
5o96B-2wbeC:
undetectable		 5o96A-2wbeC:
22.19
5o96B-2wbeC:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 LEU A 322
GLU A 281
GLY A 260
LEU A 271
ALA A 272
 None
 1.12A 5o96A-2z1kA:
undetectable
5o96B-2z1kA:
undetectable		 5o96A-2z1kA:
20.27
5o96B-2z1kA:
20.27
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY O 220
SER O 215
LEU O 437
VAL O  78
ALA O 438
 None
 1.13A 5o96A-2zf5O:
undetectable
5o96B-2zf5O:
undetectable		 5o96A-2zf5O:
19.40
5o96B-2zf5O:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 LEU A 388
GLU A 355
GLY A 385
LEU A 375
ALA A 378
 None
 1.07A 5o96A-2zfuA:
undetectable
5o96B-2zfuA:
undetectable		 5o96A-2zfuA:
24.00
5o96B-2zfuA:
24.00
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 LEU A 226
GLY A 229
LEU A 282
THR A 209
ALA A 212
 None
 1.00A 5o96A-3aw9A:
undetectable
5o96B-3aw9A:
undetectable		 5o96A-3aw9A:
22.12
5o96B-3aw9A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3doj DEHYDROGENASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 LEU A 153
GLY A 118
SER A  16
LEU A  19
ALA A 149
 None
 1.11A 5o96A-3dojA:
2.4
5o96B-3dojA:
3.2		 5o96A-3dojA:
23.17
5o96B-3dojA:
23.17
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 LEU A 229
LEU A 192
ARG A 195
THR A 336
ALA A 337
 None
 1.06A 5o96A-3fjyA:
undetectable
5o96B-3fjyA:
undetectable		 5o96A-3fjyA:
20.00
5o96B-3fjyA:
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 143
GLY A 137
LEU A  63
THR A  71
ALA A  67
 None
 1.09A 5o96A-3juxA:
undetectable
5o96B-3juxA:
undetectable		 5o96A-3juxA:
14.93
5o96B-3juxA:
14.93
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 LEU A 218
GLY A 215
LEU A 147
ARG A 144
ALA A  97
 None
 1.09A 5o96A-3kd8A:
2.0
5o96B-3kd8A:
undetectable		 5o96A-3kd8A:
21.79
5o96B-3kd8A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kw2 PROBABLE R-RNA
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		PF04452
(Methyltrans_RNA) 		5 GLU A 198
LEU A 219
ARG A 225
THR A 226
ALA A 229
 None
ADN  A 300 (-4.1A)
None
ADN  A 300 (-4.1A)
ADN  A 300 (-3.4A)
 0.74A 5o96A-3kw2A:
26.2
5o96B-3kw2A:
26.2		 5o96A-3kw2A:
33.46
5o96B-3kw2A:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kw2 PROBABLE R-RNA
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		PF04452
(Methyltrans_RNA) 		5 GLU A 198
SER A 218
LEU A 219
ARG A 225
ALA A 229
 None
ADN  A 300 (-3.6A)
ADN  A 300 (-4.1A)
None
ADN  A 300 (-3.4A)
 0.92A 5o96A-3kw2A:
26.2
5o96B-3kw2A:
26.2		 5o96A-3kw2A:
33.46
5o96B-3kw2A:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kw2 PROBABLE R-RNA
METHYLTRANSFERASE

(Porphyromonas
gingivalis) 		PF04452
(Methyltrans_RNA) 		5 GLY A 199
LEU A 219
ARG A 225
THR A 226
ALA A 229
 None
ADN  A 300 (-4.1A)
None
ADN  A 300 (-4.1A)
ADN  A 300 (-3.4A)
 1.03A 5o96A-3kw2A:
26.2
5o96B-3kw2A:
26.2		 5o96A-3kw2A:
33.46
5o96B-3kw2A:
33.46
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		5 LEU A 318
PRO A 317
GLU A 310
SER A 337
LEU A 338
 None
 1.09A 5o96A-3lwuA:
undetectable
5o96B-3lwuA:
undetectable		 5o96A-3lwuA:
24.94
5o96B-3lwuA:
24.94
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		5 LEU A  12
GLY A 369
SER A   8
THR A  20
ALA A  21
 None
 1.11A 5o96A-3odpA:
undetectable
5o96B-3odpA:
undetectable		 5o96A-3odpA:
22.40
5o96B-3odpA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 LEU A 339
GLU A 135
GLY A 133
SER A 338
ALA A 141
 None
None
BNG  A 431 (-3.2A)
None
None
 1.03A 5o96A-3qe7A:
undetectable
5o96B-3qe7A:
undetectable		 5o96A-3qe7A:
19.33
5o96B-3qe7A:
19.33
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 LEU A 337
GLY A 418
LEU A 365
THR A 393
ALA A 396
 None
 1.11A 5o96A-3s29A:
undetectable
5o96B-3s29A:
undetectable		 5o96A-3s29A:
14.96
5o96B-3s29A:
14.96
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 LEU A 138
GLY A 143
ARG A 165
THR A 164
ALA A 167
 None
 1.05A 5o96A-3tavA:
undetectable
5o96B-3tavA:
undetectable		 5o96A-3tavA:
23.55
5o96B-3tavA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 LEU A 112
GLY A 117
LEU A 132
ARG A 137
ALA A 135
 None
 1.12A 5o96A-3wy7A:
2.2
5o96B-3wy7A:
undetectable		 5o96A-3wy7A:
20.24
5o96B-3wy7A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 LEU A 412
GLU A 381
LEU A 394
THR A 384
ALA A 658
 None
 0.94A 5o96A-4av6A:
undetectable
5o96B-4av6A:
undetectable		 5o96A-4av6A:
17.23
5o96B-4av6A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 LEU A 315
GLU A 264
GLY A 318
LEU A 308
ALA A 304
 None
 1.10A 5o96A-4ay7A:
undetectable
5o96B-4ay7A:
undetectable		 5o96A-4ay7A:
21.71
5o96B-4ay7A:
21.71
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.
4b0s DEAMIDASE-DEPUPYLASE
DOP

(Acidothermus
cellulolyticus) 		PF03136
(Pup_ligase) 		5 LEU A 140
GLY A 118
VAL A  31
ARG A 128
ALA A 126
 None
 1.03A 5o96A-4b0sA:
undetectable
5o96B-4b0sA:
undetectable		 5o96A-4b0sA:
19.43
5o96B-4b0sA:
19.43
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 633
GLY A 341
LEU A 721
VAL A 685
ARG A 683
 None
 1.05A 5o96A-4cakA:
undetectable
5o96B-4cakA:
undetectable		 5o96A-4cakA:
14.47
5o96B-4cakA:
14.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
PRO A 173
LEU A 217
ARG A 223
THR A 224
 None
 1.14A 5o96A-4e8bA:
31.3
5o96B-4e8bA:
31.3		 5o96A-4e8bA:
48.39
5o96B-4e8bA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 PRO A 173
LEU A 217
VAL A 221
ARG A 223
THR A 224
 None
 0.73A 5o96A-4e8bA:
31.3
5o96B-4e8bA:
31.3		 5o96A-4e8bA:
48.39
5o96B-4e8bA:
48.39
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 5 PRO A 334
GLY A 183
SER A 331
LEU A 360
VAL A 251
 None
 0.94A 5o96A-4egvA:
undetectable
5o96B-4egvA:
undetectable		 5o96A-4egvA:
18.40
5o96B-4egvA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 166
GLY A 172
SER A 247
LEU A 250
VAL A 163
 None
CL  A 419 (-3.9A)
None
None
None
 1.01A 5o96A-4ej6A:
2.8
5o96B-4ej6A:
3.3		 5o96A-4ej6A:
22.10
5o96B-4ej6A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		5 LEU A 494
GLY A 491
SER A 543
LEU A 542
ARG A 531
 None
 1.13A 5o96A-4el8A:
undetectable
5o96B-4el8A:
undetectable		 5o96A-4el8A:
15.91
5o96B-4el8A:
15.91
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 228
GLU A 220
GLY A 222
VAL A 212
ALA A 191
 None
 0.91A 5o96A-4fi4A:
undetectable
5o96B-4fi4A:
undetectable		 5o96A-4fi4A:
19.85
5o96B-4fi4A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 536
PRO A 534
GLY A 370
SER A 568
LEU A 569
 None
 1.06A 5o96A-4fxdA:
undetectable
5o96B-4fxdA:
undetectable		 5o96A-4fxdA:
14.81
5o96B-4fxdA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		5 GLU A 523
GLY A 508
SER A 555
LEU A 554
ALA A 529
 None
 1.10A 5o96A-4i2wA:
undetectable
5o96B-4i2wA:
undetectable		 5o96A-4i2wA:
14.67
5o96B-4i2wA:
14.67
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		5 LEU A  27
PRO A  58
GLY A 106
LEU A  90
ARG A 116
 None
 1.11A 5o96A-4i3fA:
undetectable
5o96B-4i3fA:
undetectable		 5o96A-4i3fA:
19.69
5o96B-4i3fA:
19.69
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.
4ilf THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBC

(Salmonella
enterica) 		PF10411
(DsbC_N)
PF13098
(Thioredoxin_2) 		5 LEU A 177
GLY A  35
LEU A  71
THR A  63
GLN A  20
 None
 1.02A 5o96A-4ilfA:
undetectable
5o96B-4ilfA:
2.2		 5o96A-4ilfA:
23.44
5o96B-4ilfA:
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 GLY A 203
LEU A 222
VAL A 226
THR A 229
ALA A 232
 None
 0.66A 5o96A-4l69A:
22.4
5o96B-4l69A:
16.4		 5o96A-4l69A:
29.77
5o96B-4l69A:
29.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lob POLYPRENYL
SYNTHETASE

(Acinetobacter
baumannii) 		PF00348
(polyprenyl_synt) 		5 LEU A  73
GLU A 180
LEU A 189
THR A 183
ALA A 186
 None
GOL  A 401 (-2.7A)
None
None
None
 1.12A 5o96A-4lobA:
undetectable
5o96B-4lobA:
undetectable		 5o96A-4lobA:
22.55
5o96B-4lobA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nkh E3 UBIQUITIN-PROTEIN
LIGASE SSPH1

(Salmonella
enterica) 		no annotation 6 LEU A 329
PRO A 333
SER A 311
LEU A 309
ARG A 303
ALA A 324
 None
 1.48A 5o96A-4nkhA:
undetectable
5o96B-4nkhA:
undetectable		 5o96A-4nkhA:
23.78
5o96B-4nkhA:
23.78
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.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		5 LEU A 385
GLU A 406
GLY A 409
LEU A 372
THR A 378
 None
 1.14A 5o96A-4perA:
undetectable
5o96B-4perA:
undetectable		 5o96A-4perA:
19.48
5o96B-4perA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A 469
GLU A 495
GLY A 498
ARG A 492
ALA A 455
 None
 0.99A 5o96A-4q2cA:
undetectable
5o96B-4q2cA:
undetectable		 5o96A-4q2cA:
14.66
5o96B-4q2cA:
14.66
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.
4r6l BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 142
VAL A 159
ARG A 134
THR A 135
ALA A 138
 None
 1.14A 5o96A-4r6lA:
undetectable
5o96B-4r6lA:
undetectable		 5o96A-4r6lA:
20.35
5o96B-4r6lA:
20.35
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.
4uyi STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX4

(Homo sapiens) 		PF00651
(BTB) 		5 GLY A 741
SER A 771
LEU A 770
THR A 745
ALA A 747
 None
 1.12A 5o96A-4uyiA:
undetectable
5o96B-4uyiA:
undetectable		 5o96A-4uyiA:
21.85
5o96B-4uyiA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 LEU B 124
PRO B 150
GLU B  53
LEU B 152
ALA B  59
 None
 1.02A 5o96A-4wj3B:
undetectable
5o96B-4wj3B:
undetectable		 5o96A-4wj3B:
21.48
5o96B-4wj3B:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 LEU A  22
VAL A 283
THR A 286
ALA A 319
GLN A 247
 None
None
None
None
HEM  A 503 ( 4.7A)
 1.00A 5o96A-4wpzA:
undetectable
5o96B-4wpzA:
undetectable		 5o96A-4wpzA:
21.80
5o96B-4wpzA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 LEU A 236
PRO A 234
GLU A 126
GLY A 124
SER A  89
 None
None
None
None
BDP  A 401 (-3.9A)
 1.14A 5o96A-4x8rA:
undetectable
5o96B-4x8rA:
undetectable		 5o96A-4x8rA:
23.03
5o96B-4x8rA:
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.
4yqz PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLU A  23
GLY A  18
VAL A  32
ALA A  48
GLN A  26
 None
 0.96A 5o96A-4yqzA:
3.4
5o96B-4yqzA:
2.7		 5o96A-4yqzA:
21.98
5o96B-4yqzA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		5 GLU A 329
GLY A 331
SER A 316
LEU A 302
THR A 324
 GLU  A 329 ( 0.6A)
GLY  A 331 (-0.0A)
SER  A 316 ( 0.0A)
LEU  A 302 ( 0.6A)
THR  A 324 ( 0.8A)
 1.02A 5o96A-4zkeA:
2.4
5o96B-4zkeA:
undetectable		 5o96A-4zkeA:
20.56
5o96B-4zkeA:
20.56
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.
4zou STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX4

(Homo sapiens) 		PF00651
(BTB) 		5 GLY A 741
SER A 771
LEU A 770
THR A 745
ALA A 747
 None
 1.12A 5o96A-4zouA:
undetectable
5o96B-4zouA:
undetectable		 5o96A-4zouA:
20.76
5o96B-4zouA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2t COAT PROTEIN

(Bamboo mosaic
virus) 		PF00286
(Flexi_CP) 		6 LEU A 185
PRO A 190
GLY A 174
ARG A 145
THR A 141
ALA A 143
 None
 1.45A 5o96A-5a2tA:
undetectable
5o96B-5a2tA:
undetectable		 5o96A-5a2tA:
20.08
5o96B-5a2tA:
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A 399
GLU A 405
GLY A 403
LEU A 375
THR A 408
 None
 1.04A 5o96A-5b5rA:
undetectable
5o96B-5b5rA:
undetectable		 5o96A-5b5rA:
20.74
5o96B-5b5rA:
20.74
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		5 LEU A 299
GLU A 293
LEU A 351
VAL A 312
ALA A 352
 None
 1.10A 5o96A-5dqpA:
2.1
5o96B-5dqpA:
3.8		 5o96A-5dqpA:
20.09
5o96B-5dqpA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		5 LEU A 424
PRO A 428
GLY A 206
SER A 260
VAL A 210
 None
 1.06A 5o96A-5dqpA:
2.1
5o96B-5dqpA:
3.8		 5o96A-5dqpA:
20.09
5o96B-5dqpA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 317
GLY A 275
LEU A 355
THR A 129
ALA A 132
 None
 1.14A 5o96A-5eawA:
undetectable
5o96B-5eawA:
undetectable		 5o96A-5eawA:
14.10
5o96B-5eawA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ZETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU z 528
GLY z 121
LEU z 102
THR z 521
ALA z 524
 None
 1.14A 5o96A-5gw5z:
3.4
5o96B-5gw5z:
undetectable		 5o96A-5gw5z:
20.26
5o96B-5gw5z:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli;
Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		5 LEU A 396
GLY A 412
ARG J  83
THR A 418
ALA A 419
 None
 1.07A 5o96A-5h9fA:
undetectable
5o96B-5h9fA:
undetectable		 5o96A-5h9fA:
20.53
5o96B-5h9fA:
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 LEU C 498
GLY C 493
LEU C 511
VAL C 485
ALA C 516
 None
 1.09A 5o96A-5hr4C:
undetectable
5o96B-5hr4C:
undetectable		 5o96A-5hr4C:
15.12
5o96B-5hr4C:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i84 PHOSPHATE-BINDING
PROTEIN PSTS

(Xanthomonas
citri) 		PF12849
(PBP_like_2) 		5 GLY A 216
SER A 221
LEU A 220
VAL A 103
THR A 231
 None
 1.14A 5o96A-5i84A:
undetectable
5o96B-5i84A:
undetectable		 5o96A-5i84A:
20.22
5o96B-5i84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 GLY A 213
SER A  65
VAL A  77
THR A  87
ALA A  21
 None
 1.04A 5o96A-5lhvA:
undetectable
5o96B-5lhvA:
undetectable		 5o96A-5lhvA:
20.23
5o96B-5lhvA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 575
GLY A 568
LEU A 510
VAL A 491
ALA A 547
 None
 1.14A 5o96A-5lp4A:
undetectable
5o96B-5lp4A:
undetectable		 5o96A-5lp4A:
18.69
5o96B-5lp4A:
18.69
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		6 LEU A 286
PRO A 288
SER A 283
LEU A 282
THR A 439
ALA A 438
 None
GOL  A1005 (-3.5A)
None
None
None
None
 1.38A 5o96A-5medA:
undetectable
5o96B-5medA:
undetectable		 5o96A-5medA:
20.93
5o96B-5medA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 10 LEU A 173
PRO A 175
GLU A 198
GLY A 200
SER A 218
LEU A 219
VAL A 223
ARG A 225
THR A 226
ALA A 229
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.0A)
SAM  A 501 (-2.9A)
None
SAM  A 501 (-4.9A)
SAM  A 501 (-4.4A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.3A)
 0.00A 5o96A-5o96A:
41.3
5o96B-5o96A:
36.9		 5o96A-5o96A:
100.00
5o96B-5o96A:
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.
5u0k GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF12796
(Ank_2) 		5 LEU A 538
LEU A 502
THR A 521
ALA A 522
GLN A 514
 None
 1.10A 5o96A-5u0kA:
undetectable
5o96B-5u0kA:
undetectable		 5o96A-5u0kA:
19.76
5o96B-5u0kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj6 8ANC195 FAB LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY N 200
SER N 174
LEU N 175
VAL N 115
THR N 197
 None
 1.13A 5o96A-5vj6N:
undetectable
5o96B-5vj6N:
undetectable		 5o96A-5vj6N:
19.93
5o96B-5vj6N:
19.93
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.
5wjd CG8481, ISOFORM B

(Drosophila
melanogaster) 		no annotation 5 LEU A  74
SER A  57
LEU A  58
VAL A  89
ALA A 108
 None
None
None
ACO  A 201 (-4.0A)
None
 1.14A 5o96A-5wjdA:
undetectable
5o96B-5wjdA:
undetectable		 5o96A-5wjdA:
undetectable
5o96B-5wjdA:
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.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 LEU A1031
GLY A1072
LEU A1114
THR A1077
ALA A1080
 None
 1.02A 5o96A-5xnsA:
undetectable
5o96B-5xnsA:
undetectable		 5o96A-5xnsA:
18.47
5o96B-5xnsA:
18.47
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 573
GLU A 388
GLY A 598
LEU A 590
VAL A 594
 None
 1.12A 5o96A-5xxoA:
2.0
5o96B-5xxoA:
undetectable		 5o96A-5xxoA:
undetectable
5o96B-5xxoA:
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 LEU A  36
SER A  59
LEU A   5
VAL A  56
ALA A  40
 None
 1.04A 5o96A-5ydlA:
undetectable
5o96B-5ydlA:
undetectable		 5o96A-5ydlA:
undetectable
5o96B-5ydlA:
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 LEU A 530
GLY A 599
LEU A 472
ARG A 581
ALA A 579
 None
 1.05A 5o96A-6aunA:
undetectable
5o96B-6aunA:
undetectable		 5o96A-6aunA:
undetectable
5o96B-6aunA:
undetectable