SIMILAR PATTERNS OF AMINO ACIDS FOR 4L8F_D_MTXD301

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.
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 4l8fD-1b8uA:
undetectable		 4l8fD-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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY C 195
GLY C 273
ALA C 280
LEU C 276
HIS C 257
 None
 1.08A 4l8fD-1d7wC:
undetectable		 4l8fD-1d7wC:
20.18
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.
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 4l8fD-1fw8A:
2.5		 4l8fD-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
 1.15A 4l8fD-1gl6A:
undetectable		 4l8fD-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.
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
 1.17A 4l8fD-1k4qA:
undetectable		 4l8fD-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 4l8fD-1kb0A:
undetectable		 4l8fD-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
 0.40A 4l8fD-1l9xA:
47.7		 4l8fD-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
 1.18A 4l8fD-1mn6A:
2.9		 4l8fD-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
 1.01A 4l8fD-1mn6A:
2.9		 4l8fD-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 4l8fD-1mn6A:
2.9		 4l8fD-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.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 GLY A  66
GLY A  97
GLY A  98
ALA A  69
GLN A  93
 None
 1.06A 4l8fD-1nsvA:
undetectable		 4l8fD-1nsvA:
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.
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)
 0.73A 4l8fD-1o1yA:
17.4		 4l8fD-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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 496
GLY A 423
GLY A 449
GLY A 448
HIS A 398
 None
None
HE3  A1406 (-3.7A)
HE3  A1406 (-3.4A)
None
 1.12A 4l8fD-1ozhA:
2.4		 4l8fD-1ozhA:
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 GLY A 344
GLY A 375
GLY A 374
HIS A  68
GLN A  67
 None
 1.17A 4l8fD-1p49A:
undetectable		 4l8fD-1p49A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 GLY A 614
GLY A  19
ALA A 615
LEU A  20
GLN A  26
 None
 1.19A 4l8fD-1qu2A:
undetectable		 4l8fD-1qu2A:
16.67
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.
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)
 1.13A 4l8fD-1uioA:
undetectable		 4l8fD-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
 1.04A 4l8fD-1uouA:
undetectable		 4l8fD-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
 0.53A 4l8fD-1vcnA:
18.7		 4l8fD-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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 GLY A 600
GLY A 601
GLY A 602
ALA A 597
GLN A 609
 None
 0.97A 4l8fD-1y4cA:
undetectable		 4l8fD-1y4cA:
19.49
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.
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
 1.07A 4l8fD-2aa4A:
undetectable		 4l8fD-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
 1.17A 4l8fD-2bx7A:
undetectable		 4l8fD-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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		5 GLY A 195
GLY A 273
ALA A 280
LEU A 276
HIS A 257
 None
 1.11A 4l8fD-2gjmA:
undetectable		 4l8fD-2gjmA:
18.80
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.
2gux GRIFFITHSIN

(Griffithsia) 		PF01419
(Jacalin) 		5 GLY A  41
GLY A  43
GLY A  44
ALA A  31
HIS A  38
 None
 1.04A 4l8fD-2guxA:
undetectable		 4l8fD-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
 0.80A 4l8fD-2pceA:
undetectable		 4l8fD-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.
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
 1.13A 4l8fD-2r9zA:
undetectable		 4l8fD-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.
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)
 1.11A 4l8fD-2y1hA:
undetectable		 4l8fD-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.
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
 1.06A 4l8fD-2yocA:
undetectable		 4l8fD-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.
2yzr PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Methanocaldococcus
jannaschii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 GLY A 249
GLY A 250
GLY A 154
ALA A 159
GLU A 158
 None
 1.17A 4l8fD-2yzrA:
undetectable		 4l8fD-2yzrA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 4l8fD-3adaB:
undetectable		 4l8fD-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.
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
 1.11A 4l8fD-3alyA:
undetectable		 4l8fD-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
 1.14A 4l8fD-3alyA:
undetectable		 4l8fD-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)
 1.15A 4l8fD-3c3nA:
undetectable		 4l8fD-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
 1.12A 4l8fD-3dgzA:
undetectable		 4l8fD-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 4l8fD-3dhwA:
undetectable		 4l8fD-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
 1.14A 4l8fD-3ekmA:
undetectable		 4l8fD-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.
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
 1.08A 4l8fD-3fveA:
undetectable		 4l8fD-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.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		5 PHE A  48
GLY A  97
GLY A  71
HIS A 129
HIS A   6
 None
None
None
ZN  A 302 (-3.2A)
ZN  A 301 (-3.0A)
 1.18A 4l8fD-3guwA:
undetectable		 4l8fD-3guwA:
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.
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)
 1.01A 4l8fD-3hf8A:
undetectable		 4l8fD-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
 1.12A 4l8fD-3ju8A:
2.3		 4l8fD-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
 1.14A 4l8fD-3l44A:
2.1		 4l8fD-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
 0.97A 4l8fD-3l7nA:
15.9		 4l8fD-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.
3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00797
(Acetyltransf_2) 		5 GLY A 125
GLY A  67
LEU A  72
GLN A 205
HIS A 108
 None
None
None
None
COA  A1001 ( 4.1A)
 1.14A 4l8fD-3lnbA:
undetectable		 4l8fD-3lnbA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4l8fD-3m3pA:
15.8		 4l8fD-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.
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
 1.09A 4l8fD-3nwrA:
undetectable		 4l8fD-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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		5 GLY A  38
GLY A  33
GLY A  32
ALA A  37
GLU A 396
 None
 1.18A 4l8fD-3qokA:
undetectable		 4l8fD-3qokA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLY A  90
GLY A  73
ALA A  53
LEU A  52
GLN A  82
 None
 1.12A 4l8fD-3rftA:
4.2		 4l8fD-3rftA:
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.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLY A 128
ALA A 153
LEU A 130
HIS A 114
GLN A 115
 None
 1.15A 4l8fD-3rwgA:
undetectable		 4l8fD-3rwgA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4l8fD-3sigA:
undetectable		 4l8fD-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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 136
GLY A 137
GLY A 138
ALA A 134
GLN A 128
 None
 0.99A 4l8fD-3toxA:
4.2		 4l8fD-3toxA:
21.73
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.
3ujh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00342
(PGI) 		5 GLY A 276
GLY A 157
GLY A 156
GLU A 363
GLN A 358
 G6Q  A 571 ( 3.4A)
G6Q  A 571 ( 3.3A)
G6Q  A 571 ( 4.2A)
G6Q  A 571 ( 2.9A)
None
 1.01A 4l8fD-3ujhA:
3.3		 4l8fD-3ujhA:
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.
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
 0.97A 4l8fD-3x29A:
undetectable		 4l8fD-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
 1.02A 4l8fD-3x29A:
undetectable		 4l8fD-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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 GLY A 126
GLY A 182
GLY A 181
GLN A 221
HIS A 122
 None
 1.14A 4l8fD-4bptA:
undetectable		 4l8fD-4bptA:
20.13
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.
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
 0.85A 4l8fD-4cfiA:
undetectable		 4l8fD-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
 1.06A 4l8fD-4dg5A:
3.1		 4l8fD-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.
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
 1.12A 4l8fD-4fgvA:
undetectable		 4l8fD-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
GLN A 452
 None
None
None
NAD  A 601 (-4.3A)
None
 1.05A 4l8fD-4go4A:
2.4		 4l8fD-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.
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
 1.05A 4l8fD-4go4A:
2.4		 4l8fD-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
 1.18A 4l8fD-4h27A:
undetectable		 4l8fD-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
 1.06A 4l8fD-4h89A:
undetectable		 4l8fD-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.
4hdt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Mycolicibacterium
thermoresistibile) 		PF16113
(ECH_2) 		5 GLY A 119
GLY A 115
GLU A  91
TRP A  88
HIS A 123
 None
 1.18A 4l8fD-4hdtA:
undetectable		 4l8fD-4hdtA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 GLY A 116
GLY A 112
GLU A  88
TRP A  85
HIS A 120
 None
 1.16A 4l8fD-4j2uA:
undetectable		 4l8fD-4j2uA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 287
GLY A 315
ALA A 170
GLN A 323
HIS A 142
 None
 1.09A 4l8fD-4jn6A:
undetectable		 4l8fD-4jn6A:
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.
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
 1.18A 4l8fD-4jxkA:
2.5		 4l8fD-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 7 GLY E  71
GLY E  72
GLY E  73
LEU E 109
GLU E 112
HIS E 169
TRP E 171
 None
 0.38A 4l8fD-4l95E:
51.8		 4l8fD-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 7 GLY E  71
GLY E  72
LEU E 109
GLU E 112
HIS E 169
GLN E 170
TRP E 171
 None
 0.47A 4l8fD-4l95E:
51.8		 4l8fD-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
GLN E 170
 None
 1.13A 4l8fD-4l95E:
51.8		 4l8fD-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
 1.01A 4l8fD-4l95E:
51.8		 4l8fD-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
 1.13A 4l8fD-4l95E:
51.8		 4l8fD-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.
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
 0.93A 4l8fD-4ng4A:
3.1		 4l8fD-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
 0.89A 4l8fD-4nzsA:
undetectable		 4l8fD-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.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 GLY A  57
GLY A  58
ALA A  78
LEU A  75
GLN A  90
 None
 1.08A 4l8fD-4pmzA:
undetectable		 4l8fD-4pmzA:
21.57
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.
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
 1.07A 4l8fD-4q05A:
3.6		 4l8fD-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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 454
ALA A 452
LEU A 453
HIS A 484
GLN A 476
 None
 1.14A 4l8fD-4q6rA:
2.2		 4l8fD-4q6rA:
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.
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
 0.94A 4l8fD-4r94A:
undetectable		 4l8fD-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
 0.80A 4l8fD-4rp8A:
undetectable		 4l8fD-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 4l8fD-4w6vA:
undetectable		 4l8fD-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
 1.11A 4l8fD-4ywoA:
undetectable		 4l8fD-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.
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)
 0.42A 4l8fD-4zdkA:
18.9		 4l8fD-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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 674
GLY A 610
GLY A 609
ALA A 673
GLN A 444
 None
None
None
None
MCN  A 801 (-3.9A)
 1.18A 4l8fD-4zohA:
undetectable		 4l8fD-4zohA:
18.13
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.
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 4l8fD-5a5uI:
undetectable		 4l8fD-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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		5 PHE A 237
GLY A 356
GLY A 357
ALA A 360
GLN A 337
 None
None
None
CME  A 352 ( 4.2A)
None
 1.17A 4l8fD-5d8gA:
3.1		 4l8fD-5d8gA:
20.29
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.
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 4l8fD-5f1pA:
3.9		 4l8fD-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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 PHE A2070
GLY A2030
ALA A2034
LEU A2031
GLN A2082
 None
 1.00A 4l8fD-5h64A:
undetectable		 4l8fD-5h64A:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4l8fD-5i70B:
undetectable		 4l8fD-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)
 1.13A 4l8fD-5j1lA:
undetectable		 4l8fD-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.
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 4l8fD-5jodA:
undetectable		 4l8fD-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
 0.85A 4l8fD-5k0yT:
undetectable		 4l8fD-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)
 1.17A 4l8fD-5kkbA:
undetectable		 4l8fD-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.
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
 1.06A 4l8fD-5ldfA:
undetectable		 4l8fD-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
 1.02A 4l8fD-5lnkk:
undetectable		 4l8fD-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
 1.07A 4l8fD-5mfaA:
undetectable		 4l8fD-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 4l8fD-5n29A:
18.2		 4l8fD-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
 1.08A 4l8fD-5n2iA:
3.0		 4l8fD-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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 209
GLY A 211
GLY A 212
GLU A 207
GLN A 155
 None
None
CA  A 602 (-4.1A)
None
RAM  A 605 ( 3.3A)
 1.12A 4l8fD-5olsA:
undetectable		 4l8fD-5olsA:
21.09
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.
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
 1.14A 4l8fD-5u1oA:
undetectable		 4l8fD-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
 0.69A 4l8fD-5u3cA:
18.5		 4l8fD-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 4l8fD-5x4jA:
2.3		 4l8fD-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
 1.18A 4l8fD-5x5yG:
undetectable		 4l8fD-5x5yG:
20.81
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 5 PHE I 271
ALA I 376
LEU I 378
GLU I 377
GLN I 370
 None
 1.19A 4l8fD-6bnpI:
undetectable		 4l8fD-6bnpI:
13.20