SIMILAR PATTERNS OF AMINO ACIDS FOR 4L8F_B_MTXB301_1

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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 GLY A 193
GLY A 194
GLY A 183
ALA A 343
GLN A 176
 None
 1.11A 4l8fB-1b65A:
undetectable		 4l8fB-1b65A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b8u PROTEIN (MALATE
DEHYDROGENASE)

(Aquaspirillum
arcticum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 268
GLY A 284
GLY A 188
ALA A 157
LEU A 159
 None
 1.16A 4l8fB-1b8uA:
2.5		 4l8fB-1b8uA:
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 PHE A 250
GLY A 165
GLY A 164
GLY A 163
ALA A 141
 None
 1.01A 4l8fB-1fw8A:
2.5		 4l8fB-1fw8A:
22.25
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		5 PHE A 502
GLY A 322
ALA A 324
LEU A 325
GLU A 290
 None
 1.16A 4l8fB-1gl6A:
undetectable		 4l8fB-1gl6A:
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.
1j4w FUSE BINDING PROTEIN

(Homo sapiens) 		PF00013
(KH_1) 		5 GLY A  33
GLY A  54
ALA A  32
HIS A  61
GLN A  60
 None
 1.16A 4l8fB-1j4wA:
undetectable		 4l8fB-1j4wA:
19.47
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 432
GLY A 381
LEU A 382
GLU A 386
HIS A 434
 None
 1.15A 4l8fB-1k4qA:
undetectable		 4l8fB-1k4qA:
21.88
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A 239
GLY A 240
GLY A 241
ALA A 238
TRP A 267
 None
None
None
None
TFB  A1810 (-4.9A)
 1.09A 4l8fB-1kb0A:
undetectable		 4l8fB-1kb0A:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l9x GAMMA-GLUTAMYL
HYDROLASE

(Homo sapiens) 		PF07722
(Peptidase_C26) 		7 GLY A  73
GLY A  74
LEU A 111
GLU A 114
HIS A 171
TRP A 173
HIS A 220
 None
 0.41A 4l8fB-1l9xA:
47.8		 4l8fB-1l9xA:
53.65
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 GLY A 146
GLY A 150
GLY A 149
ALA A 154
HIS A 155
 None
 1.15A 4l8fB-1mn6A:
2.9		 4l8fB-1mn6A:
22.64
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 GLY A 150
GLY A 149
ALA A 154
LEU A 153
HIS A 155
 None
 0.98A 4l8fB-1mn6A:
2.9		 4l8fB-1mn6A:
22.64
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 GLY A 150
GLY A 149
ALA A 154
LEU A 153
HIS A 155
 None
 1.08A 4l8fB-1mn6A:
2.9		 4l8fB-1mn6A:
22.64
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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 PHE A  86
GLY A 149
GLY A 150
GLY A 146
HIS A 155
 None
 1.12A 4l8fB-1mn6A:
2.9		 4l8fB-1mn6A:
22.64
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.
1o1y CONSERVED
HYPOTHETICAL PROTEIN
TM1158

(Thermotoga
maritima) 		PF00117
(GATase) 		5 GLY A  53
GLY A  54
LEU A  89
HIS A 138
HIS A 173
 OCS  A  88 ( 3.5A)
OCS  A  88 (-4.2A)
OCS  A  88 ( 4.7A)
None
OCS  A  88 ( 3.9A)
 0.72A 4l8fB-1o1yA:
17.3		 4l8fB-1o1yA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 GLY A 239
GLY A 216
GLY A 219
ALA A 238
HIS A 214
 None
None
None
None
ZN  A 400 ( 3.3A)
 1.12A 4l8fB-1uioA:
undetectable		 4l8fB-1uioA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A 326
GLY A 311
GLY A 310
ALA A 320
LEU A 314
 None
 1.01A 4l8fB-1uouA:
undetectable		 4l8fB-1uouA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 363
GLY A 364
LEU A 392
HIS A 471
HIS A 522
 None
 0.51A 4l8fB-1vcnA:
18.7		 4l8fB-1vcnA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 258
GLY A 254
GLY A 253
ALA A 256
GLN A 163
 None
 1.10A 4l8fB-1yfmA:
undetectable		 4l8fB-1yfmA:
22.56
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 PHE A 126
GLY A 241
GLY A 240
ALA A 246
LEU A 245
 None
 1.06A 4l8fB-2aa4A:
undetectable		 4l8fB-2aa4A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 GLY A 249
GLY A 250
GLY A 221
ALA A 228
HIS A 260
 FMN  A1312 (-3.5A)
FMN  A1312 (-3.8A)
FMN  A1312 (-3.6A)
None
None
 1.18A 4l8fB-2bx7A:
undetectable		 4l8fB-2bx7A:
24.18
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.
2fus FUMARASE C

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 233
GLY A 229
GLY A 228
ALA A 231
GLN A 138
 None
 1.17A 4l8fB-2fusA:
undetectable		 4l8fB-2fusA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gux GRIFFITHSIN

(Griffithsia) 		PF01419
(Jacalin) 		5 GLY A  41
GLY A  43
GLY A  44
ALA A  31
HIS A  38
 None
 1.04A 4l8fB-2guxA:
undetectable		 4l8fB-2guxA:
18.06
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.
2pce PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 174
GLY A 173
ALA A 176
LEU A 177
GLU A 180
 None
 0.77A 4l8fB-2pceA:
undetectable		 4l8fB-2pceA:
20.39
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 GLY A 399
GLY A 400
GLY A 403
ALA A 394
LEU A 397
 None
 1.18A 4l8fB-2r66A:
2.8		 4l8fB-2r66A:
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 402
GLY A 352
LEU A 353
GLU A 357
HIS A 404
 None
 1.12A 4l8fB-2r9zA:
undetectable		 4l8fB-2r9zA:
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 478
GLY A 339
LEU A 103
GLU A 108
GLN A 489
 None
 1.03A 4l8fB-2vosA:
3.5		 4l8fB-2vosA:
19.44
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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 PHE A  49
GLY A 106
GLY A  68
HIS A 147
HIS A  12
 None
None
None
ZN  A1273 ( 3.1A)
ZN  A1274 ( 3.2A)
 1.13A 4l8fB-2y1hA:
undetectable		 4l8fB-2y1hA:
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.
2yl2 ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 352
GLY A 353
GLY A 354
GLU A 474
GLN A 480
 None
 1.14A 4l8fB-2yl2A:
2.7		 4l8fB-2yl2A:
20.48
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 GLY A 745
GLY A 730
GLY A 731
ALA A 750
GLN A 742
 None
 1.17A 4l8fB-2yocA:
undetectable		 4l8fB-2yocA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 GLY B  30
GLY B  29
GLY B  28
ALA B  34
LEU B  33
 FAD  B   1 (-3.6A)
FAD  B   1 (-3.0A)
FAD  B   1 ( 4.8A)
None
None
 0.84A 4l8fB-3adaB:
undetectable		 4l8fB-3adaB:
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 491
GLY A 494
GLY A 495
ALA A 512
GLN A 617
 None
 1.00A 4l8fB-3ak5A:
undetectable		 4l8fB-3ak5A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		5 GLY A  22
GLY A  34
ALA A 124
LEU A 127
GLU A 123
 None
 1.07A 4l8fB-3alyA:
undetectable		 4l8fB-3alyA:
18.09
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		5 GLY A  22
GLY A  34
ALA A 124
LEU A 127
GLU A 123
 None
 1.12A 4l8fB-3alyA:
undetectable		 4l8fB-3alyA:
18.09
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		5 GLY A 251
GLY A 252
GLY A 224
ALA A 231
HIS A 262
 GLY  A 251 (-0.0A)
GLY  A 252 (-0.0A)
GLY  A 224 (-0.0A)
ALA  A 231 ( 0.0A)
HIS  A 262 ( 1.0A)
 1.16A 4l8fB-3c3nA:
undetectable		 4l8fB-3c3nA:
23.24
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 429
GLY A 376
LEU A 377
GLU A 381
HIS A 431
 None
 1.10A 4l8fB-3dgzA:
undetectable		 4l8fB-3dgzA:
22.56
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.
3dhw D-METHIONINE
TRANSPORT SYSTEM
PERMEASE PROTEIN
METI

(Escherichia
coli) 		PF00528
(BPD_transp_1) 		5 GLY A  88
GLY A 170
GLY A 171
ALA A  92
LEU A  89
 None
 1.09A 4l8fB-3dhwA:
undetectable		 4l8fB-3dhwA:
20.57
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		5 GLY A 257
GLY A 255
GLY A 100
GLU A 245
HIS A 190
 None
ZDR  A 500 (-3.6A)
ZDR  A 500 (-3.6A)
ZDR  A 500 (-3.0A)
None
 1.15A 4l8fB-3ekmA:
undetectable		 4l8fB-3ekmA:
22.03
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.
3f2e SIRV COAT PROTEIN

(Rudivirus) 		PF12193
(Sulf_coat_C) 		5 GLY A  93
GLY A  92
GLY A  91
ALA A  95
LEU A  96
 None
 1.13A 4l8fB-3f2eA:
undetectable		 4l8fB-3f2eA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLY A 158
ALA A 160
LEU A 159
HIS A 141
GLN A 108
 None
 0.95A 4l8fB-3fe4A:
undetectable		 4l8fB-3fe4A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fij LIN1909 PROTEIN

(Listeria
innocua) 		PF07722
(Peptidase_C26) 		5 GLY A  69
GLY A  70
HIS A 178
GLN A 180
HIS A 218
 None
None
MN  A 300 (-3.5A)
None
None
 1.09A 4l8fB-3fijA:
20.0		 4l8fB-3fijA:
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.
3fve DIAMINOPIMELATE
EPIMERASE

(Mycobacterium
tuberculosis) 		PF01678
(DAP_epimerase) 		5 GLY A 156
GLY A 143
ALA A 167
LEU A 157
HIS A 165
 None
 1.07A 4l8fB-3fveA:
undetectable		 4l8fB-3fveA:
21.15
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 GLY A 331
GLY A 319
LEU A 334
GLU A 340
HIS A 272
 None
None
None
None
FE  A 400 ( 3.3A)
 0.96A 4l8fB-3hf8A:
undetectable		 4l8fB-3hf8A:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 GLY A  35
GLY A 201
GLY A 202
ALA A  36
HIS A   5
 None
 1.15A 4l8fB-3ju8A:
undetectable		 4l8fB-3ju8A:
21.13
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.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 GLY A  22
GLY A  21
ALA A  15
LEU A  16
HIS A  18
 None
 1.11A 4l8fB-3l44A:
2.1		 4l8fB-3l44A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7n PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF00117
(GATase) 		6 PHE A  65
GLY A  53
GLY A  54
LEU A  92
HIS A 143
HIS A 179
 None
 1.00A 4l8fB-3l7nA:
15.9		 4l8fB-3l7nA:
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 GLY A  56
GLY A  57
LEU A  90
HIS A 140
HIS A 176
 None
 0.46A 4l8fB-3m3pA:
15.8		 4l8fB-3m3pA:
21.81
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 GLY A 202
GLY A 166
GLY A 170
ALA A 201
GLN A 163
 None
 1.13A 4l8fB-3n6zA:
undetectable		 4l8fB-3n6zA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 382
GLY A 381
ALA A 386
LEU A 385
HIS A 387
 GOL  A 437 ( 3.6A)
SO4  A 433 (-3.5A)
None
None
None
 1.07A 4l8fB-3nwrA:
undetectable		 4l8fB-3nwrA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 230
GLY A 226
GLY A 225
ALA A 228
GLN A 135
 None
 1.17A 4l8fB-3rd8A:
undetectable		 4l8fB-3rd8A:
18.94
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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM

(Mycobacteroides
abscessus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 231
GLY A 227
GLY A 226
ALA A 229
GLN A 136
 None
 1.17A 4l8fB-3rrpA:
undetectable		 4l8fB-3rrpA:
20.92
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.
3s5w L-ORNITHINE
5-MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF13434
(K_oxygenase) 		5 GLY A 214
GLY A 215
ALA A 352
HIS A 190
GLN A 217
 NAP  A 452 ( 3.8A)
NAP  A 452 (-3.4A)
None
None
None
 1.00A 4l8fB-3s5wA:
undetectable		 4l8fB-3s5wA:
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		5 GLY A 105
GLY A 104
GLY A 103
ALA A 110
GLN A 113
 None
AR6  A 280 (-3.3A)
None
AR6  A 280 ( 4.9A)
None
 0.90A 4l8fB-3sigA:
undetectable		 4l8fB-3sigA:
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		5 GLY A 105
GLY A 104
GLY A 103
ALA A 110
HIS A 111
 None
AR6  A 280 (-3.3A)
None
AR6  A 280 ( 4.9A)
None
 1.08A 4l8fB-3sigA:
undetectable		 4l8fB-3sigA:
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 158
GLY A 157
GLY A 156
ALA A 185
GLU A 187
 None
 1.17A 4l8fB-3wxyA:
undetectable		 4l8fB-3wxyA:
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.
3x29 CLAUDIN-19

(Mus musculus) 		PF00822
(PMP22_Claudin) 		5 GLY A 123
GLY A 179
GLY A 178
ALA A 183
LEU A 182
 None
 1.00A 4l8fB-3x29A:
undetectable		 4l8fB-3x29A:
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.
3x29 CLAUDIN-19

(Mus musculus) 		PF00822
(PMP22_Claudin) 		5 GLY A 179
GLY A 178
GLY A  10
ALA A 183
LEU A 182
 None
 1.01A 4l8fB-3x29A:
undetectable		 4l8fB-3x29A:
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 232
GLY A 228
GLY A 227
ALA A 230
GLN A 137
 None
 1.18A 4l8fB-4apbA:
undetectable		 4l8fB-4apbA:
20.72
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.
4cfi FLAGELLIN

(Burkholderia
pseudomallei) 		PF00669
(Flagellin_N)
PF12613
(FliC_SP) 		5 PHE A 250
GLY A 170
GLY A 171
GLY A 172
ALA A 308
 None
 0.86A 4l8fB-4cfiA:
undetectable		 4l8fB-4cfiA:
22.36
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 PHE A 305
GLY A 225
GLY A 224
GLY A 223
ALA A 201
 None
 1.05A 4l8fB-4dg5A:
3.1		 4l8fB-4dg5A:
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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		5 GLY A 149
GLY A 148
GLY A 322
ALA A 151
HIS A 165
 None
 1.18A 4l8fB-4dpyA:
undetectable		 4l8fB-4dpyA:
21.94
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 GLY A 389
GLY A 388
GLY A 387
ALA A 504
HIS A 463
 None
 1.13A 4l8fB-4fgvA:
undetectable		 4l8fB-4fgvA:
13.36
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 GLY A 410
GLY A 250
ALA A 430
LEU A 409
HIS A 429
 None
None
None
NAD  A 601 (-4.3A)
None
 1.07A 4l8fB-4go4A:
2.2		 4l8fB-4go4A:
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 224
GLY A 168
ALA A 198
LEU A 223
HIS A 199
 None
LLP  A  41 ( 3.5A)
None
None
None
 1.14A 4l8fB-4h27A:
undetectable		 4l8fB-4h27A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 224
GLY A 169
ALA A 198
GLU A 194
HIS A 199
 None
LLP  A  41 ( 3.7A)
None
None
None
 1.18A 4l8fB-4h27A:
undetectable		 4l8fB-4h27A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h89 GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		5 PHE A  22
GLY A 103
GLY A  71
ALA A 105
LEU A 106
 None
 1.09A 4l8fB-4h89A:
undetectable		 4l8fB-4h89A:
21.03
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 225
GLY A 224
ALA A 229
LEU A 228
HIS A 230
 None
 1.14A 4l8fB-4jxkA:
2.3		 4l8fB-4jxkA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 8 GLY E  71
GLY E  72
GLY E  73
LEU E 109
GLU E 112
HIS E 169
GLN E 170
TRP E 171
 None
 0.63A 4l8fB-4l95E:
51.9		 4l8fB-4l95E:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 GLY E  71
GLY E  72
LEU E 109
GLU E 112
TRP E 171
 None
 1.13A 4l8fB-4l95E:
51.9		 4l8fB-4l95E:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 GLY E  71
LEU E 109
GLU E 112
HIS E 169
TRP E 171
 None
 1.09A 4l8fB-4l95E:
51.9		 4l8fB-4l95E:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 GLY E  72
GLY E  73
LEU E 109
GLU E 112
HIS E 169
 None
 1.00A 4l8fB-4l95E:
51.9		 4l8fB-4l95E:
99.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l95 GAMMA-GLUTAMYL
HYDROLASE

(Danio rerio) 		no annotation 5 GLY E  72
LEU E 109
GLU E 112
GLN E 170
TRP E 171
 None
 1.16A 4l8fB-4l95E:
51.9		 4l8fB-4l95E:
99.36
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 GLY A  17
GLY A 176
ALA A  21
LEU A  18
GLU A  22
 None
None
CA  A 402 (-4.9A)
None
CA  A 403 ( 2.8A)
 1.16A 4l8fB-4lq0A:
undetectable		 4l8fB-4lq0A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		5 GLY A 349
GLY A 348
GLY A 347
ALA A 353
LEU A 352
 ADP  A 402 (-4.0A)
ADP  A 402 ( 3.7A)
None
None
None
 0.89A 4l8fB-4ng4A:
undetectable		 4l8fB-4ng4A:
22.36
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 116
GLY A  55
ALA A 117
GLU A 118
GLN A  59
 None
 1.03A 4l8fB-4nzsA:
undetectable		 4l8fB-4nzsA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p49 ANTIBODY SCFV B8

(Gallus gallus) 		PF07686
(V-set) 		5 GLY A  94
GLY A  84
ALA A   1
LEU A   2
TRP A  86
 None
None
None
None
SO4  A 303 ( 3.9A)
 1.18A 4l8fB-4p49A:
undetectable		 4l8fB-4p49A:
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 119
GLY A 187
GLY A 188
GLU A 132
HIS A 312
 None
 1.06A 4l8fB-4q05A:
4.3		 4l8fB-4q05A:
22.34
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.
4r94 NON-STRUCTURAL
PROTEIN NS1

(Rodent
protoparvovirus
1) 		PF12433
(PV_NSP1) 		5 GLY A 125
GLY A 121
GLY A 225
HIS A 118
GLN A 117
 None
 1.02A 4l8fB-4r94A:
undetectable		 4l8fB-4r94A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 GLY A 447
GLY A 126
ALA A 449
LEU A 450
GLU A 453
 None
 0.79A 4l8fB-4rp8A:
undetectable		 4l8fB-4rp8A:
20.80
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.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		5 PHE A  32
GLY A 190
GLY A 189
ALA A 108
HIS A 183
 None
 1.17A 4l8fB-4w6vA:
undetectable		 4l8fB-4w6vA:
19.74
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.
4ywo MERCURIC REDUCTASE

(Metallosphaera
sedula) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 388
GLY A 341
LEU A 342
GLU A 346
HIS A 390
 None
 1.09A 4l8fB-4ywoA:
undetectable		 4l8fB-4ywoA:
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  18
GLY A 625
ALA A  22
LEU A  21
HIS A  23
 None
 1.18A 4l8fB-4z26A:
undetectable		 4l8fB-4z26A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 365
GLY A 366
LEU A 394
HIS A 476
HIS A 524
 ONL  A 601 (-3.3A)
ONL  A 601 (-3.7A)
ONL  A 601 ( 4.1A)
ONL  A 601 (-4.9A)
ONL  A 601 ( 4.8A)
 0.38A 4l8fB-4zdkA:
19.0		 4l8fB-4zdkA:
19.08
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 GLY I 255
GLY I 256
GLY I 257
ALA I 275
GLU I 274
 None
 1.01A 4l8fB-5a5uI:
undetectable		 4l8fB-5a5uI:
21.13
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.
5f1p PTMO8

(Streptomyces
platensis) 		PF13561
(adh_short_C2) 		5 GLY A 139
GLY A 140
GLY A 141
ALA A 137
HIS A 134
 None
 1.16A 4l8fB-5f1pA:
3.8		 4l8fB-5f1pA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 5 GLY B 171
GLY B 172
ALA B 152
LEU B 153
GLU B 316
 None
 1.17A 4l8fB-5i70B:
undetectable		 4l8fB-5i70B:
22.78
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 202
GLY A 200
GLY A 199
ALA A 218
HIS A 219
 None
None
None
None
ZN  A 401 (-4.4A)
 1.12A 4l8fB-5j1lA:
undetectable		 4l8fB-5j1lA:
20.50
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 GLY A 439
GLY A 442
GLY A 443
ALA A 460
GLN A 568
 None
 1.02A 4l8fB-5j44A:
undetectable		 4l8fB-5j44A:
14.77
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 GLY A 171
GLY A 172
ALA A 152
LEU A 153
GLU A 316
 GOL  A 406 ( 4.3A)
None
None
None
None
 1.18A 4l8fB-5jodA:
undetectable		 4l8fB-5jodA:
20.93
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.
5k0y EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 GLY T 247
GLY T 248
GLY T 249
ALA T 267
GLU T 266
 None
 0.87A 4l8fB-5k0yT:
undetectable		 4l8fB-5k0yT:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		5 PHE A 281
GLY A 411
GLY A 412
LEU A 476
GLU A 524
 MAN  A 708 ( 4.3A)
None
MAN  A 707 ( 3.5A)
MAN  A 708 ( 4.1A)
MAN  A 707 ( 4.7A)
 1.13A 4l8fB-5kkbA:
undetectable		 4l8fB-5kkbA:
21.12
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.
5l0l UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 GLY A 187
GLY A 228
LEU A 188
GLN A 191
TRP A 225
 None
 1.12A 4l8fB-5l0lA:
undetectable		 4l8fB-5l0lA:
21.38
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLY A  56
GLY A  55
ALA A 444
LEU A 445
GLU A 448
 None
 1.07A 4l8fB-5ldfA:
undetectable		 4l8fB-5ldfA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnk MITOCHONDRIAL
COMPLEX I, 42 KDA
SUBUNIT

(Ovis aries) 		PF00420
(Oxidored_q2) 		5 GLY k  47
GLY k 121
ALA k  43
LEU k  48
HIS k  50
 None
 1.04A 4l8fB-5lnkk:
undetectable		 4l8fB-5lnkk:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY A 361
GLY A 439
ALA A 446
LEU A 442
HIS A 423
 None
 1.10A 4l8fB-5mfaA:
undetectable		 4l8fB-5mfaA:
18.27
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.
5n29 CTP SYNTHASE

(Trypanosoma
brucei) 		PF00117
(GATase) 		5 GLY A 391
GLY A 392
LEU A 420
HIS A 499
HIS A 549
 8JB  A 419 ( 3.4A)
8JB  A 419 ( 4.1A)
8JB  A 419 ( 4.6A)
None
8JB  A 419 ( 4.0A)
 0.64A 4l8fB-5n29A:
18.1		 4l8fB-5n29A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n2i REDUCED COENZYME
F420:NADP
OXIDOREDUCTASE

(Thermobifida
fusca) 		PF03807
(F420_oxidored) 		5 GLY A  49
GLY A  27
GLY A  32
ALA A  56
LEU A  48
 None
 1.07A 4l8fB-5n2iA:
2.8		 4l8fB-5n2iA:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 GLY A 285
GLY A 284
GLY A 283
HIS A  19
HIS A 105
 PG4  A 403 (-3.5A)
PG4  A 403 (-4.8A)
None
MN  A 401 (-3.5A)
PG4  A 403 (-4.5A)
 0.99A 4l8fB-5o25A:
2.6		 4l8fB-5o25A:
24.15
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 409
GLY A 358
LEU A 359
GLU A 363
HIS A 411
 None
 1.12A 4l8fB-5u1oA:
undetectable		 4l8fB-5u1oA:
22.34
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 351
GLY A 352
LEU A 380
HIS A 469
HIS A 515
 None
 0.65A 4l8fB-5u3cA:
18.6		 4l8fB-5u3cA:
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 GLY A 437
GLY A 438
GLY A 423
ALA A 430
LEU A 426
 None
 1.06A 4l8fB-5x4jA:
2.3		 4l8fB-5x4jA:
12.18
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.
5x5y UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF03739
(YjgP_YjgQ) 		5 PHE G 187
GLY G 138
GLY G 139
ALA G 135
LEU G 134
 None
 1.16A 4l8fB-5x5yG:
undetectable		 4l8fB-5x5yG:
20.81