SIMILAR PATTERNS OF AMINO ACIDS FOR 6E8Q_A_X2NA602

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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 PHE A 162
ILE A 156
THR A 190
LEU A 169
PHE A 102
 None
 1.14A 6e8qA-1bheA:
0.0		 6e8qA-1bheA:
13.03
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.
1brt BROMOPEROXIDASE A2

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		5 GLY A 254
PHE A 159
PHE A 163
THR A  99
LEU A 231
 None
None
None
CL  A 278 (-3.5A)
None
 1.14A 6e8qA-1brtA:
undetectable		 6e8qA-1brtA:
12.32
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		5 GLY A 547
TYR A 464
PHE A 441
THR A 549
MET A 517
 None
 1.22A 6e8qA-1d0nA:
0.2		 6e8qA-1d0nA:
8.06
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 265
GLY A 318
THR A 190
LEU A 270
PHE A 202
 None
 1.23A 6e8qA-1e3eA:
undetectable		 6e8qA-1e3eA:
11.17
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY A 475
PHE B 376
ILE B 375
GLY B 369
MET A 483
 None
None
None
TP7  A1554 ( 3.9A)
None
 1.21A 6e8qA-1e6vA:
undetectable		 6e8qA-1e6vA:
11.66
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.
1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Escherichia
coli) 		PF01182
(Glucosamine_iso) 		5 PHE A  63
ILE A  24
PHE A  93
THR A  48
PHE A 134
 None
 1.19A 6e8qA-1fs5A:
0.0		 6e8qA-1fs5A:
14.90
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		5 GLY A 190
GLY A 282
THR A 284
LEU A 203
THR A 197
 None
 1.16A 6e8qA-1gnxA:
0.0		 6e8qA-1gnxA:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 TYR B   4
PHE B  71
GLY B 102
HIS B  53
THR B  51
 None
 1.06A 6e8qA-1htrB:
0.0		 6e8qA-1htrB:
12.30
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 GLY A 177
TYR A 456
PHE A 443
ILE A 428
GLY A 462
 None
 1.20A 6e8qA-1j0hA:
undetectable		 6e8qA-1j0hA:
8.78
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.
1jmm PROTEIN I/II
V-REGION

(Streptococcus
mutans) 		PF08363
(GbpC) 		5 GLY A 662
GLY A 575
THR A 585
LEU A 553
THR A 541
 None
 1.21A 6e8qA-1jmmA:
undetectable		 6e8qA-1jmmA:
12.47
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 GLY A  54
ILE A 956
GLY A 950
LEU A 938
PHE A 225
 None
 1.02A 6e8qA-1jqoA:
undetectable		 6e8qA-1jqoA:
6.67
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.
1jr9 MANGANESE SUPEROXIDE
DISMUTASE

(Virgibacillus
halodenitrificans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLY A  78
PHE A 115
ILE A 105
PHE A 119
LEU A  88
 None
 1.24A 6e8qA-1jr9A:
undetectable		 6e8qA-1jr9A:
15.76
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.
1nph GELSOLIN

(Mus musculus) 		PF00626
(Gelsolin) 		5 GLY A 547
TYR A 464
PHE A 441
THR A 549
MET A 517
 None
 1.19A 6e8qA-1nphA:
undetectable		 6e8qA-1nphA:
13.44
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		5 GLY A1231
PHE A1317
ILE A1332
GLY A1271
LEU A1510
 None
 1.07A 6e8qA-1qhmA:
undetectable		 6e8qA-1qhmA:
8.65
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 ILE A   7
PHE A  21
GLY A 301
HIS A 241
MET A 304
 None
 1.24A 6e8qA-1qnrA:
undetectable		 6e8qA-1qnrA:
12.43
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 GLY A 137
PHE A  32
ILE A  89
GLY A 272
LEU A 324
 None
 1.23A 6e8qA-1tjyA:
undetectable		 6e8qA-1tjyA:
14.24
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 GLY A  55
TYR A 362
ILE A 334
GLY A 368
THR A 405
 None
 1.18A 6e8qA-1wzaA:
undetectable		 6e8qA-1wzaA:
9.22
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 131
TYR A 246
ILE A 310
GLY A 306
THR A 157
 None
 1.21A 6e8qA-2d0vA:
undetectable		 6e8qA-2d0vA:
8.93
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.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		5 GLY A 189
TYR A 359
PHE A  24
PHE A  32
THR A 314
 None
 1.25A 6e8qA-2dr1A:
undetectable		 6e8qA-2dr1A:
10.93
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.
2dwc 433AA LONG
HYPOTHETICAL
PHOSPHORIBOSYLGLYCIN
AMIDE FORMYL
TRANSFERASE

(Pyrococcus
horikoshii) 		PF02222
(ATP-grasp) 		5 GLY A 310
ILE A 251
GLY A 234
THR A 299
LEU A 214
 None
 1.16A 6e8qA-2dwcA:
undetectable		 6e8qA-2dwcA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 ILE A 389
GLY A  27
THR A  31
PHE A 377
THR A  59
 None
HEA  A 515 ( 3.8A)
HEA  A 515 (-3.3A)
HEA  A 516 ( 4.1A)
None
 1.18A 6e8qA-2eijA:
undetectable		 6e8qA-2eijA:
10.50
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 GLY A  94
PHE A  13
GLY A  47
THR A  49
MET A  68
 None
ASP  A 901 (-3.4A)
None
None
None
 1.22A 6e8qA-2f5xA:
undetectable		 6e8qA-2f5xA:
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.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		6 GLY A 171
PHE A 333
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
None
NHE  A   1 (-3.6A)
 1.22A 6e8qA-2ichA:
undetectable		 6e8qA-2ichA:
14.42
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.
2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE

(Shewanella
oneidensis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  57
ILE A 214
GLY A 210
PHE A 183
THR A  55
 None
 1.17A 6e8qA-2oasA:
undetectable		 6e8qA-2oasA:
12.26
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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		5 GLY A  98
ILE A  52
GLY A  92
LEU A 156
THR A 226
 MMA  A 242 ( 3.1A)
None
None
None
MAN  A 241 (-3.3A)
 0.99A 6e8qA-2ow4A:
undetectable		 6e8qA-2ow4A:
16.90
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.
2p17 PIRIN-LIKE PROTEIN

(Geobacillus
kaustophilus) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 PHE A 216
ILE A   7
LEU A 235
THR A 146
MET A 172
 None
 1.12A 6e8qA-2p17A:
undetectable		 6e8qA-2p17A:
15.64
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.
2qag SEPTIN-2

(Homo sapiens) 		PF00735
(Septin) 		5 GLY A 241
PHE A 167
ILE A 171
THR A  98
THR A  52
 None
None
None
None
GDP  A 362 (-3.9A)
 1.18A 6e8qA-2qagA:
undetectable		 6e8qA-2qagA:
16.39
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.
2qcz OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR YAET

(Escherichia
coli) 		PF07244
(POTRA) 		5 GLY A 221
ILE A 328
GLY A 263
THR A 261
THR A 225
 None
 1.17A 6e8qA-2qczA:
undetectable		 6e8qA-2qczA:
13.73
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 GLY A 401
TYR A 459
GLY A 287
THR A 283
THR A 374
 NI  A1614 (-3.7A)
None
None
None
None
 1.16A 6e8qA-2uvfA:
undetectable		 6e8qA-2uvfA:
8.70
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 TYR A 141
PHE A  88
ILE A 117
LEU A  36
THR A  45
 None
 1.18A 6e8qA-2va8A:
0.9		 6e8qA-2va8A:
6.43
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 GLY A 733
THR A 762
LEU A 764
HIS A 765
THR A  42
 None
 1.20A 6e8qA-2vf8A:
undetectable		 6e8qA-2vf8A:
7.85
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.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 PHE A 333
GLY A 194
THR A 192
LEU A  23
HIS A  26
 None
 1.09A 6e8qA-2x4gA:
undetectable		 6e8qA-2x4gA:
13.56
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 GLY A 270
TYR A 335
GLY A 659
PHE A 311
THR A 268
 None
GOL  A 901 ( 4.7A)
FAD  A 801 (-3.8A)
None
None
 1.21A 6e8qA-2yr5A:
undetectable		 6e8qA-2yr5A:
8.64
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.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 282
PHE A 173
ILE A  99
GLY A 187
THR A 189
 None
 1.23A 6e8qA-3a8kA:
undetectable		 6e8qA-3a8kA:
10.61
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLY A 281
ILE A 175
GLY A 149
THR A 119
THR A 264
 None
None
None
PMP  A 431 (-3.4A)
None
 1.11A 6e8qA-3bs8A:
undetectable		 6e8qA-3bs8A:
12.65
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.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 GLY A 173
TYR A 260
ILE A 279
THR A 244
PHE A 259
 None
 1.07A 6e8qA-3cg3A:
undetectable		 6e8qA-3cg3A:
14.80
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 GLY A 488
ILE A 515
PHE A 478
GLY A 407
PHE A 503
 None
 1.05A 6e8qA-3dwkA:
undetectable		 6e8qA-3dwkA:
8.89
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 234
ILE A 284
PHE A 362
GLY A 289
LEU A 351
 None
 1.15A 6e8qA-3e6eA:
undetectable		 6e8qA-3e6eA:
11.05
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.
3efc OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR YAET

(Escherichia
coli) 		PF07244
(POTRA) 		5 GLY A 221
ILE A 328
GLY A 263
THR A 261
THR A 225
 None
 1.20A 6e8qA-3efcA:
undetectable		 6e8qA-3efcA:
13.56
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.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		5 GLY A 188
PHE A 353
ILE A 318
GLY A 210
LEU A 303
 None
 1.14A 6e8qA-3fi8A:
undetectable		 6e8qA-3fi8A:
12.91
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 113
PHE A  57
ILE A  22
GLY A  72
THR A 100
 None
 1.20A 6e8qA-3gdcA:
undetectable		 6e8qA-3gdcA:
13.78
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 PHE A  27
ILE A  14
PHE A 125
THR A 110
LEU A 106
 None
 1.21A 6e8qA-3h0uA:
undetectable		 6e8qA-3h0uA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 102
ILE C  46
PHE C  91
THR C 123
LEU C 120
 None
None
None
None
HEM  C 502 (-3.4A)
 1.24A 6e8qA-3h1lC:
undetectable		 6e8qA-3h1lC:
12.19
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 GLY A 403
PHE A 316
GLY A  65
THR A 336
THR A 380
 None
 1.21A 6e8qA-3h5lA:
undetectable		 6e8qA-3h5lA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 GLY A 210
ILE A 550
GLY A 137
LEU A 202
MET A 205
 None
 1.23A 6e8qA-3h7lA:
undetectable		 6e8qA-3h7lA:
10.74
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.
3iox AGI/II

(Streptococcus
mutans) 		PF06696
(Strep_SA_rep)
PF08363
(GbpC) 		5 GLY A 662
GLY A 575
THR A 585
LEU A 553
THR A 541
 None
 1.18A 6e8qA-3ioxA:
undetectable		 6e8qA-3ioxA:
11.32
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.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 PHE A 213
ILE A 128
PHE A 228
PHE A 123
THR A 194
 None
 1.24A 6e8qA-3jclA:
1.2		 6e8qA-3jclA:
5.67
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.
3jr3 NAD-DEPENDENT
DEACETYLASE

(Thermotoga
maritima) 		PF02146
(SIR2) 		5 GLY A 216
ILE A 245
PHE A   6
THR A  18
LEU A 187
 None
 1.03A 6e8qA-3jr3A:
undetectable		 6e8qA-3jr3A:
18.22
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.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 660
ILE A 523
PHE A 675
GLY A 536
THR A 661
 None
 1.23A 6e8qA-3l4kA:
1.0		 6e8qA-3l4kA:
7.79
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.
3led 3-OXOACYL-ACYL
CARRIER PROTEIN
SYNTHASE III

(Rhodopseudomonas
palustris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 334
PHE A  57
PHE A 199
HIS A 296
THR A 330
 None
 1.15A 6e8qA-3ledA:
undetectable		 6e8qA-3ledA:
11.38
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 GLY A 206
ILE A 250
LEU A  76
PHE A 176
THR A 165
 None
 1.19A 6e8qA-3mjoA:
undetectable		 6e8qA-3mjoA:
15.27
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.
3myx UNCHARACTERIZED
PROTEIN PSPTO_0244

(Pseudomonas
syringae group
genomosp. 3) 		PF05899
(Cupin_3) 		5 GLY A 194
PHE A  21
GLY A  18
LEU A 206
THR A 210
 None
 1.21A 6e8qA-3myxA:
undetectable		 6e8qA-3myxA:
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1
SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1

(Sus scrofa;
Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
PF00287
(Na_K-ATPase) 		5 PHE B  50
ILE B  54
GLY A 857
THR A 918
HIS A 912
 None
 1.11A 6e8qA-3n23B:
undetectable		 6e8qA-3n23B:
17.65
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.
3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Mycobacterium
tuberculosis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 101
THR A 260
HIS A  36
PHE A 143
THR A 291
 ADP  A 307 (-4.3A)
None
None
None
None
 1.16A 6e8qA-3pygA:
undetectable		 6e8qA-3pygA:
15.21
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.
3q4d MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY
POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  41
TYR A   9
PHE A 102
GLY A  66
THR A  38
 None
 1.13A 6e8qA-3q4dA:
undetectable		 6e8qA-3q4dA:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbc PEROXIREDOXIN TSA1

(Saccharomyces
cerevisiae) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 PHE A 126
ILE A 134
PHE A  38
GLY A 112
THR A 103
 None
 1.23A 6e8qA-3sbcA:
undetectable		 6e8qA-3sbcA:
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.
3vb0 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Sphingomonas
wittichii) 		PF00903
(Glyoxalase) 		5 GLY A 112
TYR A   8
GLY A 146
THR A 192
HIS A 115
 None
 1.22A 6e8qA-3vb0A:
undetectable		 6e8qA-3vb0A:
14.40
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 ILE A  48
GLY A 162
THR A 160
LEU A 129
PHE A  38
 SO4  A 603 (-4.9A)
None
None
None
None
 1.21A 6e8qA-3wfoA:
undetectable		 6e8qA-3wfoA:
11.52
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.
3wfp POLY A POLYMERASE

(synthetic
construct;
Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 ILE A  48
GLY A 162
THR A 160
LEU A 129
PHE A  38
 None
 1.19A 6e8qA-3wfpA:
undetectable		 6e8qA-3wfpA:
11.72
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.
3x3y PHENYLETHYLAMINE
OXIDASE

(Arthrobacter
globiformis) 		PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3) 		5 GLY A 248
PHE A 557
PHE A  63
THR A  76
LEU A  45
 None
 1.22A 6e8qA-3x3yA:
undetectable		 6e8qA-3x3yA:
7.88
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.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		5 TYR A  94
PHE A 102
GLY A 180
HIS A 144
MET A 146
 None
 1.15A 6e8qA-4b6gA:
undetectable		 6e8qA-4b6gA:
13.92
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A 176
PHE A  29
ILE A  24
GLY A 107
THR A  45
 HEM  A 401 (-3.4A)
None
None
None
HEM  A 401 ( 4.9A)
 1.23A 6e8qA-4fcsA:
undetectable		 6e8qA-4fcsA:
11.22
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 GLY A 193
TYR A 353
PHE A 246
GLY A 452
LEU A 249
 HEM  A 501 (-2.8A)
None
None
None
HEM  A 501 ( 4.4A)
 1.24A 6e8qA-4g2cA:
undetectable		 6e8qA-4g2cA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 GLY A 660
ILE A 523
PHE A 675
GLY A 536
THR A 661
 None
 1.15A 6e8qA-4gfhA:
undetectable		 6e8qA-4gfhA:
5.38
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.
4i66 UNCHARACTERIZED
PROTEIN HOCH_4089

(Haliangium
ochraceum) 		PF13709
(DUF4159) 		5 GLY A 183
PHE A  33
ILE A  58
PHE A  85
HIS A 154
 None
 1.22A 6e8qA-4i66A:
undetectable		 6e8qA-4i66A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mqb THYMIDYLATE KINASE

(Staphylococcus
aureus) 		PF02223
(Thymidylate_kin) 		5 GLY A  39
ILE A 142
GLY A  14
THR A  17
THR A  35
 None
None
PG4  A 302 (-3.5A)
PG4  A 302 (-3.8A)
None
 1.20A 6e8qA-4mqbA:
undetectable		 6e8qA-4mqbA:
17.56
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 GLY A 368
ILE A 381
LEU A 391
HIS A 397
THR A 367
 None
 1.23A 6e8qA-4rmxA:
undetectable		 6e8qA-4rmxA:
8.37
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.
4tlp CHYMOTRYPSIN
INHIBITOR 3

(Psophocarpus
tetragonolobus) 		PF00197
(Kunitz_legume) 		5 GLY A  19
ILE A 153
GLY A  32
PHE A 122
THR A  20
 None
 1.16A 6e8qA-4tlpA:
undetectable		 6e8qA-4tlpA:
18.24
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.
4u4l BETA-LACTAMASE NDM-1

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 PHE A 236
GLY A 197
LEU A  78
HIS A  61
THR A  91
 None
 1.17A 6e8qA-4u4lA:
undetectable		 6e8qA-4u4lA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 GLY A  69
TYR A 122
PHE A 130
PHE A 229
HIS A 374
 None
VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
None
None
 1.11A 6e8qA-4uymA:
51.9		 6e8qA-4uymA:
10.92
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 GLY A 321
ILE A 404
GLY A 356
LEU A 418
HIS A 297
 None
 1.08A 6e8qA-4x1zA:
undetectable		 6e8qA-4x1zA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		5 GLY A 205
TYR A 370
PHE A  48
GLY A 454
LEU A 260
 HEM  A 501 (-3.4A)
GOL  A 502 (-4.4A)
None
None
HEM  A 501 ( 4.4A)
 1.19A 6e8qA-5c2iA:
undetectable		 6e8qA-5c2iA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cgy HEAVY CHAIN OF FAB

(Homo sapiens) 		no annotation 5 GLY H  89
ILE H  34
GLY H 118
PHE H  64
THR H  91
 None
 1.12A 6e8qA-5cgyH:
undetectable		 6e8qA-5cgyH:
15.35
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 GLY A 209
ILE A 558
GLY A 136
LEU A 201
MET A 204
 None
 1.24A 6e8qA-5dgqA:
undetectable		 6e8qA-5dgqA:
8.76
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		11 GLY A  65
TYR A 118
PHE A 126
ILE A 131
PHE A 228
GLY A 307
THR A 311
LEU A 376
HIS A 377
PHE A 380
MET A 508
 X2N  A 590 ( 4.0A)
X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
X2N  A 590 (-4.2A)
X2N  A 590 (-4.9A)
X2N  A 590 (-3.5A)
HEM  A 580 (-3.6A)
X2N  A 590 (-4.3A)
X2N  A 590 (-4.3A)
X2N  A 590 ( 4.8A)
X2N  A 590 (-4.8A)
 0.52A 6e8qA-5fsaA:
57.2		 6e8qA-5fsaA:
11.55
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.
5g37 41.9 KDA
INSECTICIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		5 GLY A 265
PHE A  95
ILE A  66
GLY A  90
PHE A 279
 None
 1.08A 6e8qA-5g37A:
undetectable		 6e8qA-5g37A:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 PHE F 877
GLY F 879
LEU F 856
PHE F 986
THR F 779
 None
 1.14A 6e8qA-5gjwF:
undetectable		 6e8qA-5gjwF:
6.19
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.
5gva WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 PHE A  93
ILE A  76
GLY A 112
LEU A 151
THR A 169
 None
 1.06A 6e8qA-5gvaA:
undetectable		 6e8qA-5gvaA:
14.08
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.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 PHE A  63
ILE A  24
PHE A  93
THR A  48
PHE A 134
 None
 1.18A 6e8qA-5hj5A:
undetectable		 6e8qA-5hj5A:
13.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		11 GLY A  73
TYR A 126
PHE A 134
ILE A 139
PHE A 236
GLY A 314
THR A 318
LEU A 380
HIS A 381
PHE A 384
THR A 507
 None
VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
VOR  A 602 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-3.0A)
HEM  A 601 (-3.4A)
VOR  A 602 (-4.0A)
None
None
None
 0.55A 6e8qA-5hs1A:
63.5		 6e8qA-5hs1A:
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.
5ikg DYE-DECOLORIZING
PEROXIDASE

(Auricularia
auricula-judae) 		PF04261
(Dyp_perox) 		5 GLY A 169
TYR A 337
PHE A  26
GLY A 431
LEU A 219
 HEM  A 501 (-3.4A)
None
None
None
HEM  A 501 ( 4.2A)
 1.23A 6e8qA-5ikgA:
undetectable		 6e8qA-5ikgA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B 168
GLY B 464
LEU B 416
PHE B  54
THR B 454
 None
 1.18A 6e8qA-5ip9B:
0.9		 6e8qA-5ip9B:
5.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		12 GLY A  74
TYR A 127
PHE A 135
ILE A 140
PHE A 237
GLY A 315
THR A 319
LEU A 381
HIS A 382
PHE A 385
THR A 510
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
1YN  A 602 (-4.4A)
1YN  A 602 (-4.5A)
1YN  A 602 ( 3.6A)
HEM  A 601 ( 3.5A)
1YN  A 602 ( 4.7A)
1YN  A 602 (-4.2A)
1YN  A 602 (-4.8A)
1YN  A 602 (-3.8A)
1YN  A 602 (-3.5A)
 0.60A 6e8qA-5jlcA:
58.9		 6e8qA-5jlcA:
77.42
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.
5kai CYTOCHROME C-550

(Thermosynechococcus
elongatus) 		PF14495
(Cytochrom_C550) 		5 GLY V  84
PHE V  33
GLY V  44
LEU V  59
THR V  81
 None
 1.00A 6e8qA-5kaiV:
undetectable		 6e8qA-5kaiV:
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 GLY A 269
GLY A  59
THR A 428
LEU A 344
THR A 259
 None
 1.10A 6e8qA-5lh9A:
undetectable		 6e8qA-5lh9A:
11.55
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 GLY A 221
ILE A 328
GLY A 263
THR A 261
THR A 225
 None
 1.18A 6e8qA-5ljoA:
undetectable		 6e8qA-5ljoA:
8.32
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 GLY A 383
PHE A 142
ILE A 216
LEU A 456
PHE A 220
 None
 0.95A 6e8qA-5nlmA:
undetectable		 6e8qA-5nlmA:
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.
5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		5 GLY f 369
ILE f 651
GLY f 321
LEU f 328
MET f 365
 None
 1.21A 6e8qA-5t0hf:
undetectable		 6e8qA-5t0hf:
8.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te4 HIV-1 CLADE G STRAIN
X2088 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 GLY G 366
ILE G 341
GLY G 451
LEU G 454
THR G 372
 None
 1.25A 6e8qA-5te4G:
undetectable		 6e8qA-5te4G:
11.01
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 435
ILE A  90
GLY A 110
HIS A 115
THR A 436
 None
 1.13A 6e8qA-5tf0A:
undetectable		 6e8qA-5tf0A:
8.99
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.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 205
TYR A 127
PHE A 161
PHE A 125
THR A 203
 None
 1.02A 6e8qA-5tg8A:
undetectable		 6e8qA-5tg8A:
12.35
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.
5txr 5-AMINOLEVULINATE
SYNTHASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		no annotation 5 GLY B 343
ILE B 388
GLY B 290
LEU B 170
THR B 334
 None
None
None
None
PLP  B 605 (-3.6A)
 1.16A 6e8qA-5txrB:
undetectable		 6e8qA-5txrB:
15.00
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 GLY A 221
PHE A 145
ILE A 198
PHE A 191
GLY A 140
 None
 1.01A 6e8qA-5uhkA:
undetectable		 6e8qA-5uhkA:
13.52
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 509
PHE A 150
LEU A 486
PHE A 479
THR A 510
 None
 0.97A 6e8qA-5v9xA:
undetectable		 6e8qA-5v9xA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		5 GLY A 337
TYR A 306
ILE A 302
PHE A 318
THR A 342
 None
 1.23A 6e8qA-5vmbA:
undetectable		 6e8qA-5vmbA:
11.19
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 433
ILE A  88
GLY A 108
HIS A 113
THR A 434
 None
 1.11A 6e8qA-5xxoA:
undetectable		 6e8qA-5xxoA:
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.
5xya -

(-) 		no annotation 5 GLY A 352
PHE A 795
GLY A 678
THR A 595
THR A 407
 None
 1.02A 6e8qA-5xyaA:
undetectable		 6e8qA-5xyaA:
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.
5zzn -

(-) 		no annotation 5 GLY V  84
PHE V  33
GLY V  44
LEU V  59
THR V  81
 None
None
None
HEM  V 201 (-4.9A)
None
 1.06A 6e8qA-5zznV:
undetectable		 6e8qA-5zznV:
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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 5 GLY A 177
ILE A  63
GLY A  81
LEU A 157
HIS A 180
 None
None
None
SAM  A 901 (-3.8A)
SAM  A 901 (-4.2A)
 0.79A 6e8qA-6bxnA:
undetectable		 6e8qA-6bxnA:
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.
6gdt -

(-) 		no annotation 5 GLY A 210
ILE A 549
GLY A 137
LEU A 202
MET A 205
 None
 1.19A 6e8qA-6gdtA:
undetectable		 6e8qA-6gdtA:
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.
1w36 EXODEOXYRIBONUCLEASE
V GAMMA CHAIN

(Escherichia
coli) 		PF04257
(Exonuc_V_gamma) 		4 TYR C 190
LEU C 313
TYR C 312
PRO C 220
 None
 1.33A 6e8qA-1w36C:
0.3		 6e8qA-1w36C:
5.45
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 TYR A  64
LEU A 121
TYR A 132
PRO A 230
 None
X2N  A 590 (-4.6A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.2A)
 0.37A 6e8qA-5fsaA:
57.2		 6e8qA-5fsaA:
11.55
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		4 TYR A 604
LEU A 635
TYR A 701
PRO A 634
 None
 1.05A 6e8qA-5gw7A:
0.0		 6e8qA-5gw7A:
7.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		4 TYR A  72
LEU A 129
TYR A 140
PRO A 238
 None
None
HEM  A 601 (-4.3A)
None
 0.35A 6e8qA-5hs1A:
63.5		 6e8qA-5hs1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		4 TYR A  73
LEU A 130
TYR A 141
PRO A 239
 1YN  A 602 (-4.9A)
None
HEM  A 601 (-4.2A)
1YN  A 602 ( 4.8A)
 0.70A 6e8qA-5jlcA:
58.9		 6e8qA-5jlcA:
77.42
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 TYR A1324
LEU A1351
TYR A1346
PRO A1355
 None
 1.43A 6e8qA-5mzoA:
0.1		 6e8qA-5mzoA:
5.11