SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGZ_B_CQAB302

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.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 GLU A 320
GLU A 321
GLY A 314
ARG A 323
 None
 0.97A 4fgzA-1dq3A:
undetectable
4fgzB-1dq3A:
undetectable		 4fgzA-1dq3A:
22.37
4fgzB-1dq3A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 GLU A  19
GLU C 168
TYR A  25
ARG C 165
 None
 0.93A 4fgzA-1e6vA:
undetectable
4fgzB-1e6vA:
undetectable		 4fgzA-1e6vA:
16.36
4fgzB-1e6vA:
16.36
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.
1exc PROTEIN MAF

(Bacillus
subtilis) 		PF02545
(Maf) 		4 GLU A 139
TYR A 137
GLY A 154
ARG A 155
 None
 1.06A 4fgzA-1excA:
undetectable
4fgzB-1excA:
undetectable		 4fgzA-1excA:
20.30
4fgzB-1excA:
20.30
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 SER A 960
GLU A 934
GLY A 883
ARG A 881
 None
 0.87A 4fgzA-1f4hA:
undetectable
4fgzB-1f4hA:
undetectable		 4fgzA-1f4hA:
13.49
4fgzB-1f4hA:
13.49
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 GLU A 399
GLU A 396
TYR A 397
GLY A 416
 None
CD  A 588 ( 2.5A)
None
None
 0.92A 4fgzA-1g01A:
undetectable
4fgzB-1g01A:
undetectable		 4fgzA-1g01A:
21.92
4fgzB-1g01A:
21.92
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.
1iou YKT6P

(Saccharomyces
cerevisiae) 		PF13774
(Longin) 		4 GLU A  45
GLU A  18
ARG A  10
GLY A  13
 None
 0.85A 4fgzA-1iouA:
undetectable
4fgzB-1iouA:
undetectable		 4fgzA-1iouA:
21.77
4fgzB-1iouA:
21.77
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 SER A 747
GLU A1023
TYR A1025
ARG A 986
 None
 0.98A 4fgzA-1k32A:
undetectable
4fgzB-1k32A:
undetectable		 4fgzA-1k32A:
14.20
4fgzB-1k32A:
14.20
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 GLU B   3
ARG B 192
GLY B 139
ARG B   4
 None
 1.00A 4fgzA-1kwcB:
undetectable
4fgzB-1kwcB:
undetectable		 4fgzA-1kwcB:
18.21
4fgzB-1kwcB:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1na6 RESTRICTION
ENDONUCLEASE ECORII

(Escherichia
coli) 		PF09019
(EcoRII-C)
PF09217
(EcoRII-N) 		4 SER A 269
GLU A 154
GLY A 158
LYS A  23
 None
 0.93A 4fgzA-1na6A:
undetectable
4fgzB-1na6A:
undetectable		 4fgzA-1na6A:
21.18
4fgzB-1na6A:
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 GLU A  41
GLU A  70
TYR A  50
ARG A  69
GLY A  45
 None
 1.12A 4fgzA-1nxzA:
2.5
4fgzB-1nxzA:
2.6		 4fgzA-1nxzA:
21.25
4fgzB-1nxzA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8h OSTEOCALCIN

(Sus scrofa) 		no annotation 5 GLU A  40
TYR A  42
ARG A  19
GLY A  47
ARG A  43
 None
 1.46A 4fgzA-1q8hA:
undetectable
4fgzB-1q8hA:
undetectable		 4fgzA-1q8hA:
8.91
4fgzB-1q8hA:
8.91
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 GLU A 119
GLU A 334
TYR A 313
GLY A 125
ARG A 122
 None
 1.47A 4fgzA-1serA:
undetectable
4fgzB-1serA:
undetectable		 4fgzA-1serA:
18.78
4fgzB-1serA:
18.78
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		4 GLU A1325
GLU A1322
TYR A1321
LYS A1365
 None
 0.89A 4fgzA-1ug3A:
undetectable
4fgzB-1ug3A:
undetectable		 4fgzA-1ug3A:
21.79
4fgzB-1ug3A:
21.79
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.
1v47 ATP SULFURYLASE

(Thermus
thermophilus) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 GLU A 144
GLU A 145
GLY A 249
ARG A 147
 None
 1.02A 4fgzA-1v47A:
undetectable
4fgzB-1v47A:
undetectable		 4fgzA-1v47A:
19.78
4fgzB-1v47A:
19.78
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		4 GLU A 342
ARG A 322
GLY A 334
ARG A 333
 None
 1.03A 4fgzA-1vefA:
undetectable
4fgzB-1vefA:
undetectable		 4fgzA-1vefA:
20.83
4fgzB-1vefA:
20.83
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.
1w0m TRIOSEPHOSPHATE
ISOMERASE

(Thermoproteus
tenax) 		PF00121
(TIM)
PF05690
(ThiG) 		4 SER A  94
GLU A 144
TYR A 155
GLY A 149
 None
 0.95A 4fgzA-1w0mA:
undetectable
4fgzB-1w0mA:
undetectable		 4fgzA-1w0mA:
22.30
4fgzB-1w0mA:
22.30
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.
1w0m TRIOSEPHOSPHATE
ISOMERASE

(Thermoproteus
tenax) 		PF00121
(TIM)
PF05690
(ThiG) 		4 SER A  94
TYR A 155
ARG A 154
GLY A 149
 None
 0.91A 4fgzA-1w0mA:
undetectable
4fgzB-1w0mA:
undetectable		 4fgzA-1w0mA:
22.30
4fgzB-1w0mA:
22.30
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.
1wv9 RHODANESE HOMOLOG
TT1651

(Thermus
thermophilus) 		no annotation 4 GLU A  74
GLU A  79
TYR A  78
ARG A  53
 None
 0.97A 4fgzA-1wv9A:
undetectable
4fgzB-1wv9A:
undetectable		 4fgzA-1wv9A:
16.03
4fgzB-1wv9A:
16.03
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		4 SER A 124
GLU A  80
GLY A  41
ARG A  40
 None
 1.05A 4fgzA-1y1pA:
7.0
4fgzB-1y1pA:
6.6		 4fgzA-1y1pA:
20.80
4fgzB-1y1pA:
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.
1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 GLU A 258
TYR A 260
ARG A 263
GLY A 290
 None
 1.00A 4fgzA-1y8pA:
undetectable
4fgzB-1y8pA:
undetectable		 4fgzA-1y8pA:
20.48
4fgzB-1y8pA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 GLU A 261
TYR A 260
ARG A 263
GLY A 290
 None
 1.06A 4fgzA-1y8pA:
undetectable
4fgzB-1y8pA:
undetectable		 4fgzA-1y8pA:
20.48
4fgzB-1y8pA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2azw MUTT/NUDIX FAMILY
PROTEIN

(Enterococcus
faecalis) 		PF00293
(NUDIX) 		4 GLU A  57
GLU A  58
ARG A  62
GLY A  48
 None
 0.99A 4fgzA-2azwA:
undetectable
4fgzB-2azwA:
undetectable		 4fgzA-2azwA:
18.66
4fgzB-2azwA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 4 SER A  37
GLU A 193
GLU A 192
GLY A 299
 GOL  A 507 (-2.7A)
GOL  A 507 (-2.7A)
GOL  A 501 ( 4.8A)
None
 1.01A 4fgzA-2de2A:
undetectable
4fgzB-2de2A:
undetectable		 4fgzA-2de2A:
21.58
4fgzB-2de2A:
21.58
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.
2eqm PHD FINGER PROTEIN
20-LIKE 1

(Homo sapiens) 		PF02820
(MBT) 		4 GLU A  55
GLU A  27
GLY A  23
ARG A  39
 None
 0.79A 4fgzA-2eqmA:
undetectable
4fgzB-2eqmA:
undetectable		 4fgzA-2eqmA:
19.34
4fgzB-2eqmA:
19.34
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 SER A 453
GLU A 352
ARG A 354
GLY A  61
 None
 1.04A 4fgzA-2ftwA:
undetectable
4fgzB-2ftwA:
undetectable		 4fgzA-2ftwA:
20.08
4fgzB-2ftwA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		4 GLU X  29
GLU X  51
ARG X  56
GLY X  47
 None
 1.04A 4fgzA-2h7gX:
undetectable
4fgzB-2h7gX:
undetectable		 4fgzA-2h7gX:
22.84
4fgzB-2h7gX:
22.84
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLU A 370
TYR A 368
ARG A   2
ARG A 369
 None
 0.96A 4fgzA-2i4nA:
undetectable
4fgzB-2i4nA:
undetectable		 4fgzA-2i4nA:
18.28
4fgzB-2i4nA:
18.28
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.
2l11 CHROMOBOX PROTEIN
HOMOLOG 3

(Homo sapiens) 		PF00385
(Chromo) 		4 GLU A  38
GLU A  19
TYR A  20
ARG A  11
 None
 1.05A 4fgzA-2l11A:
undetectable
4fgzB-2l11A:
undetectable		 4fgzA-2l11A:
15.02
4fgzB-2l11A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ml2 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 4 GLU A  69
ARG A  73
GLY A 133
ARG A 134
 None
 1.06A 4fgzA-2ml2A:
undetectable
4fgzB-2ml2A:
undetectable		 4fgzA-2ml2A:
20.07
4fgzB-2ml2A:
20.07
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.
2nrx UVRABC SYSTEM
PROTEIN C

(Thermotoga
maritima) 		PF08459
(UvrC_HhH_N) 		4 GLU A 548
GLY A 515
ARG A 518
LYS A 519
 None
SO4  A 901 (-3.4A)
None
None
 0.94A 4fgzA-2nrxA:
undetectable
4fgzB-2nrxA:
undetectable		 4fgzA-2nrxA:
19.27
4fgzB-2nrxA:
19.27
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		4 SER A 223
GLU A 455
GLU A 456
GLY A 460
 None
 0.93A 4fgzA-2qqpA:
undetectable
4fgzB-2qqpA:
undetectable		 4fgzA-2qqpA:
17.97
4fgzB-2qqpA:
17.97
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL

(Trichormus
variabilis) 		PF01261
(AP_endonuc_2) 		4 GLU A 105
GLU A 108
TYR A 109
ARG A 113
 None
 0.89A 4fgzA-2qw5A:
undetectable
4fgzB-2qw5A:
undetectable		 4fgzA-2qw5A:
22.12
4fgzB-2qw5A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 GLU A 459
TYR A 461
ARG A 542
GLY A 724
 None
 0.96A 4fgzA-2rdyA:
undetectable
4fgzB-2rdyA:
undetectable		 4fgzA-2rdyA:
14.71
4fgzB-2rdyA:
14.71
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 GLU A 423
GLU A 394
GLY A 534
ARG A 420
 None
 1.04A 4fgzA-2ycbA:
undetectable
4fgzB-2ycbA:
undetectable		 4fgzA-2ycbA:
18.44
4fgzB-2ycbA:
18.44
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.
2yu6 YTH
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF04146
(YTH) 		4 GLU A 125
TYR A  10
GLY A   7
ARG A   9
 None
 1.05A 4fgzA-2yu6A:
undetectable
4fgzB-2yu6A:
undetectable		 4fgzA-2yu6A:
17.53
4fgzB-2yu6A:
17.53
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 GLU A 304
GLU A 305
GLY A 266
ARG A 307
 GLU  A 304 ( 0.6A)
GLU  A 305 ( 0.6A)
GLY  A 266 ( 0.0A)
ARG  A 307 ( 0.6A)
 1.03A 4fgzA-3c3nA:
undetectable
4fgzB-3c3nA:
undetectable		 4fgzA-3c3nA:
22.15
4fgzB-3c3nA:
22.15
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		4 GLU A  30
GLU A  29
ARG A  27
GLY A 178
 None
 0.82A 4fgzA-3d4jA:
undetectable
4fgzB-3d4jA:
undetectable		 4fgzA-3d4jA:
19.40
4fgzB-3d4jA:
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLU A 420
GLU A 424
GLY A 377
LYS A 374
 None
 0.95A 4fgzA-3dkhA:
undetectable
4fgzB-3dkhA:
undetectable		 4fgzA-3dkhA:
18.35
4fgzB-3dkhA:
18.35
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 SER A1149
GLU A1198
GLY A1097
LYS A1080
 None
 1.05A 4fgzA-3ecqA:
undetectable
4fgzB-3ecqA:
undetectable		 4fgzA-3ecqA:
10.46
4fgzB-3ecqA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 GLU A 119
GLU A 334
TYR A 313
GLY A 124
ARG A 122
 None
 1.45A 4fgzA-3errA:
undetectable
4fgzB-3errA:
undetectable		 4fgzA-3errA:
19.33
4fgzB-3errA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 GLU A 119
GLU A 334
TYR A 313
GLY A 125
ARG A 122
 None
 1.47A 4fgzA-3errA:
undetectable
4fgzB-3errA:
undetectable		 4fgzA-3errA:
19.33
4fgzB-3errA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 SER A1300
TYR A 982
ARG A 985
GLY A 887
 None
None
PO4  A   1 (-3.8A)
None
 0.90A 4fgzA-3f2bA:
undetectable
4fgzB-3f2bA:
undetectable		 4fgzA-3f2bA:
14.86
4fgzB-3f2bA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2

(Homo sapiens) 		PF01852
(START) 		4 GLU A 521
ARG A 523
GLY A 525
ARG A 524
 None
 1.06A 4fgzA-3fo5A:
undetectable
4fgzB-3fo5A:
undetectable		 4fgzA-3fo5A:
22.52
4fgzB-3fo5A:
22.52
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		4 GLU A 150
TYR A 152
ARG A  83
GLY A 147
 None
 0.98A 4fgzA-3g8aA:
12.1
4fgzB-3g8aA:
12.2		 4fgzA-3g8aA:
19.10
4fgzB-3g8aA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i50 MURINE HEAVY CHAIN
(IGG3) OF E53
MONOCLONAL ANTIBODY
FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU H  46
GLU H  85
ARG H  87
GLY H  42
 None
 0.95A 4fgzA-3i50H:
undetectable
4fgzB-3i50H:
undetectable		 4fgzA-3i50H:
22.34
4fgzB-3i50H:
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.
3k5j SUPPRESSOR OF FUSED
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF05076
(SUFU) 		4 SER A  70
GLU A  76
GLU A 109
GLY A 104
 None
 0.93A 4fgzA-3k5jA:
undetectable
4fgzB-3k5jA:
undetectable		 4fgzA-3k5jA:
19.62
4fgzB-3k5jA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 SER A  13
GLU A  41
TYR A  40
GLY A 421
 None
 0.99A 4fgzA-3kehA:
undetectable
4fgzB-3kehA:
undetectable		 4fgzA-3kehA:
18.88
4fgzB-3kehA:
18.88
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		4 GLU A 113
GLU A  62
GLY A  33
ARG A  66
 None
 1.06A 4fgzA-3krzA:
undetectable
4fgzB-3krzA:
undetectable		 4fgzA-3krzA:
21.81
4fgzB-3krzA:
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.
3l6v DNA GYRASE SUBUNIT A

(Xanthomonas
campestris) 		PF03989
(DNA_gyraseA_C) 		4 SER A 733
GLU A 783
TYR A 786
GLY A 855
 None
 1.00A 4fgzA-3l6vA:
undetectable
4fgzB-3l6vA:
undetectable		 4fgzA-3l6vA:
20.60
4fgzB-3l6vA:
20.60
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		4 GLU A 122
GLU A 119
TYR A 120
GLY A 178
 None
GOL  A 339 (-4.3A)
None
None
 0.82A 4fgzA-3ld8A:
undetectable
4fgzB-3ld8A:
undetectable		 4fgzA-3ld8A:
21.84
4fgzB-3ld8A:
21.84
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 GLU A 205
ARG A 141
GLY A 139
ARG A 207
 SO4  A 230 ( 3.1A)
None
None
SO4  A 230 ( 3.9A)
 0.97A 4fgzA-3m33A:
12.4
4fgzB-3m33A:
12.6		 4fgzA-3m33A:
18.38
4fgzB-3m33A:
18.38
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 SER A 674
GLU A 471
GLU A 468
GLY A 476
 None
 0.88A 4fgzA-3ne5A:
undetectable
4fgzB-3ne5A:
undetectable		 4fgzA-3ne5A:
13.03
4fgzB-3ne5A:
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.
3paj NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE,
CARBOXYLATING

(Vibrio cholerae) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 SER A 277
GLU A 211
TYR A 181
LYS A 208
 None
 1.06A 4fgzA-3pajA:
undetectable
4fgzB-3pajA:
undetectable		 4fgzA-3pajA:
20.81
4fgzB-3pajA:
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		4 SER A  54
GLU A 152
GLU A 151
GLY A 169
 None
 0.89A 4fgzA-3qxfA:
undetectable
4fgzB-3qxfA:
undetectable		 4fgzA-3qxfA:
22.47
4fgzB-3qxfA:
22.47
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		4 SER A 337
GLU A  33
ARG A 423
GLY A 367
 CA0  A 602 (-4.3A)
None
None
None
 1.04A 4fgzA-3vexA:
undetectable
4fgzB-3vexA:
undetectable		 4fgzA-3vexA:
17.34
4fgzB-3vexA:
17.34
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		4 GLU A 109
GLU A 110
ARG A 153
ARG A 112
 None
 1.03A 4fgzA-3vqrA:
undetectable
4fgzB-3vqrA:
undetectable		 4fgzA-3vqrA:
18.98
4fgzB-3vqrA:
18.98
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.
3wic GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 SER A 304
GLU A 166
GLY A 105
ARG A 106
 None
1PE  A1004 ( 3.8A)
None
1PE  A1004 (-4.1A)
 0.94A 4fgzA-3wicA:
6.2
4fgzB-3wicA:
6.3		 4fgzA-3wicA:
22.49
4fgzB-3wicA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zfc CHROMOSOME-ASSOCIATE
D KINESIN KIF4

(Mus musculus) 		PF00225
(Kinesin) 		4 GLU A  62
GLU A  63
GLY A 113
ARG A 117
 None
 1.04A 4fgzA-3zfcA:
undetectable
4fgzB-3zfcA:
undetectable		 4fgzA-3zfcA:
20.63
4fgzB-3zfcA:
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.
4bg2 PATF

(Prochloron
didemni) 		no annotation 4 GLU A  52
TYR A  67
GLY A  64
ARG A  66
 None
 0.91A 4fgzA-4bg2A:
undetectable
4fgzB-4bg2A:
undetectable		 4fgzA-4bg2A:
22.74
4fgzB-4bg2A:
22.74
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.
4dkd INTERLEUKIN-34

(Homo sapiens) 		PF15036
(IL34) 		4 GLU A 173
TYR A 176
GLY A  39
ARG A  42
 None
 1.00A 4fgzA-4dkdA:
undetectable
4fgzB-4dkdA:
undetectable		 4fgzA-4dkdA:
19.63
4fgzB-4dkdA:
19.63
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.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		4 GLU A 283
TYR A 285
GLY A 292
ARG A 289
 None
 1.04A 4fgzA-4f3nA:
12.2
4fgzB-4f3nA:
12.4		 4fgzA-4f3nA:
19.24
4fgzB-4f3nA:
19.24
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A  36
TYR A  35
GLY A   5
ARG A   8
 None
 1.01A 4fgzA-4f4cA:
undetectable
4fgzB-4f4cA:
undetectable		 4fgzA-4f4cA:
12.19
4fgzB-4f4cA:
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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		4 SER A 201
GLU A 176
TYR A 177
GLY A 135
 None
 0.87A 4fgzA-4gijA:
undetectable
4fgzB-4gijA:
undetectable		 4fgzA-4gijA:
20.00
4fgzB-4gijA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hfv UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		4 SER A  40
GLU A  60
GLY A  13
ARG A  16
 None
 1.00A 4fgzA-4hfvA:
undetectable
4fgzB-4hfvA:
undetectable		 4fgzA-4hfvA:
21.90
4fgzB-4hfvA:
21.90
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 TYR A 343
ARG A 347
GLY A 411
LYS A 415
 OPE  A 502 (-4.6A)
OPE  A 502 (-3.9A)
None
OPE  A 502 (-2.7A)
 0.56A 4fgzA-4ineA:
38.6
4fgzB-4ineA:
38.6		 4fgzA-4ineA:
23.63
4fgzB-4ineA:
23.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		4 TYR A 173
ARG A 177
GLY A 241
LYS A 245
 None
 0.82A 4fgzA-4iv8A:
35.9
4fgzB-4iv8A:
35.9		 4fgzA-4iv8A:
59.01
4fgzB-4iv8A:
59.01
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.
4ixl XYLANASE

(Bacillus sp.
(in: Bacteria)) 		PF00457
(Glyco_hydro_11) 		4 GLU A 122
TYR A 121
ARG A 147
GLY A 118
 None
 0.92A 4fgzA-4ixlA:
undetectable
4fgzB-4ixlA:
undetectable		 4fgzA-4ixlA:
19.03
4fgzB-4ixlA:
19.03
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 TYR A 339
ARG A 343
GLY A 407
LYS A 411
 1SH  A 702 (-4.6A)
1SH  A 702 (-4.0A)
None
1SH  A 702 (-2.6A)
 0.60A 4fgzA-4kriA:
38.6
4fgzB-4kriA:
38.5		 4fgzA-4kriA:
23.80
4fgzB-4kriA:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLU A 168
TYR A 172
ARG A 176
GLY A 240
LYS A 244
 None
PO4  A 302 (-4.5A)
PO4  A 302 (-3.8A)
None
PO4  A 302 (-2.7A)
 1.08A 4fgzA-4mwzA:
41.8
4fgzB-4mwzA:
41.8		 4fgzA-4mwzA:
63.53
4fgzB-4mwzA:
63.53
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		4 SER A 418
GLU A 331
GLY A 412
ARG A 413
 None
 0.82A 4fgzA-4nzjA:
undetectable
4fgzB-4nzjA:
undetectable		 4fgzA-4nzjA:
20.61
4fgzB-4nzjA:
20.61
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 SER A1035
GLU A1620
TYR A1618
GLY A1030
 None
 1.02A 4fgzA-4r04A:
undetectable
4fgzB-4r04A:
2.5		 4fgzA-4r04A:
9.58
4fgzB-4r04A:
9.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLU A 174
TYR A 175
ARG A 179
GLY A 243
LYS A 247
 None
PC  A 301 (-4.5A)
PC  A 301 (-3.9A)
None
PC  A 301 (-2.7A)
 0.51A 4fgzA-4r6wA:
44.8
4fgzB-4r6wA:
44.8		 4fgzA-4r6wA:
99.61
4fgzB-4r6wA:
99.61
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.
4u1d EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 SER C 106
GLU C  61
GLU C  57
GLY C  65
 None
 0.91A 4fgzA-4u1dC:
undetectable
4fgzB-4u1dC:
undetectable		 4fgzA-4u1dC:
20.84
4fgzB-4u1dC:
20.84
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.
4uqz HSIE1

(Pseudomonas
aeruginosa) 		PF07024
(ImpE) 		4 GLU A 241
GLU A 238
ARG A 235
GLY A  72
 None
 0.96A 4fgzA-4uqzA:
undetectable
4fgzB-4uqzA:
undetectable		 4fgzA-4uqzA:
17.75
4fgzB-4uqzA:
17.75
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.
4wau CENTROMERE PROTEIN M

(Homo sapiens) 		PF11111
(CENP-M) 		4 SER A 126
GLU A  82
GLY A  22
LYS A  50
 None
 0.89A 4fgzA-4wauA:
undetectable
4fgzB-4wauA:
undetectable		 4fgzA-4wauA:
19.63
4fgzB-4wauA:
19.63
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.
4x90 GROUP XV
PHOSPHOLIPASE A2

(Homo sapiens) 		PF02450
(LCAT) 		4 SER A 334
TYR A 173
ARG A 177
GLY A 283
 None
 0.94A 4fgzA-4x90A:
undetectable
4fgzB-4x90A:
undetectable		 4fgzA-4x90A:
18.27
4fgzB-4x90A:
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 GLU A 355
TYR A 354
ARG A 353
GLY A  71
 None
 1.04A 4fgzA-4y5rA:
undetectable
4fgzB-4y5rA:
undetectable		 4fgzA-4y5rA:
19.83
4fgzB-4y5rA:
19.83
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 SER A1149
GLU A1198
GLY A1097
LYS A1080
 None
 1.04A 4fgzA-5a55A:
undetectable
4fgzB-5a55A:
undetectable		 4fgzA-5a55A:
13.39
4fgzB-5a55A:
13.39
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 SER A 401
TYR A 477
ARG A 473
GLY A 455
 MGN  A 402 ( 4.4A)
None
None
SMC  A 454 ( 2.4A)
 1.06A 4fgzA-5a8rA:
undetectable
4fgzB-5a8rA:
undetectable		 4fgzA-5a8rA:
17.81
4fgzB-5a8rA:
17.81
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.
5gkv ESTERASE A

(Caulobacter
vibrioides) 		PF00144
(Beta-lactamase) 		4 GLU A 314
GLU A 303
GLY A 307
ARG A 312
 None
 0.97A 4fgzA-5gkvA:
undetectable
4fgzB-5gkvA:
undetectable		 4fgzA-5gkvA:
18.60
4fgzB-5gkvA:
18.60
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA

(Escherichia
coli) 		PF09481
(CRISPR_Cse1) 		4 GLU A 428
TYR A 424
GLY A 385
LYS A 389
 None
 1.05A 4fgzA-5h9fA:
undetectable
4fgzB-5h9fA:
undetectable		 4fgzA-5h9fA:
19.13
4fgzB-5h9fA:
19.13
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 SER A  99
GLU A  19
GLU A  18
GLY A  26
 None
 0.95A 4fgzA-5hm5A:
undetectable
4fgzB-5hm5A:
undetectable		 4fgzA-5hm5A:
15.67
4fgzB-5hm5A:
15.67
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		4 GLU A  81
GLU A  78
TYR A  77
ARG A 416
 None
 0.86A 4fgzA-5hs1A:
undetectable
4fgzB-5hs1A:
undetectable		 4fgzA-5hs1A:
21.13
4fgzB-5hs1A:
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.
5lsi KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG

(Homo sapiens) 		no annotation 4 GLU E  66
GLU E  67
GLY E  61
ARG E  69
 None
 1.03A 4fgzA-5lsiE:
undetectable
4fgzB-5lsiE:
undetectable		 4fgzA-5lsiE:
14.39
4fgzB-5lsiE:
14.39
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.
5lu2 14-3-3 PROTEIN SIGMA

(Homo sapiens) 		PF00244
(14-3-3) 		4 GLU A  86
GLU A  83
TYR A  84
ARG A  85
 None
 0.86A 4fgzA-5lu2A:
undetectable
4fgzB-5lu2A:
undetectable		 4fgzA-5lu2A:
23.10
4fgzB-5lu2A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 GLU A 433
GLU A 429
TYR A 432
GLY A 310
 None
 0.91A 4fgzA-5nd4A:
3.0
4fgzB-5nd4A:
2.9		 4fgzA-5nd4A:
19.26
4fgzB-5nd4A:
19.26
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		4 GLU A 253
GLU A 205
ARG A 207
GLY A 246
 None
 0.91A 4fgzA-5ocsA:
undetectable
4fgzB-5ocsA:
undetectable		 4fgzA-5ocsA:
22.16
4fgzB-5ocsA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG)
PF13183
(Fer4_8) 		4 SER C  51
GLU B 204
GLU B 206
GLY B 195
 None
 1.03A 4fgzA-5odrC:
undetectable
4fgzB-5odrC:
undetectable		 4fgzA-5odrC:
22.18
4fgzB-5odrC:
22.18
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.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLU A 261
TYR A 261
GLY A 116
ARG A 261
 None
 0.99A 4fgzA-5tg8A:
undetectable
4fgzB-5tg8A:
undetectable		 4fgzA-5tg8A:
21.94
4fgzB-5tg8A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 GLU A 180
ARG A 242
GLY A 189
ARG A 183
 None
None
CL  A 504 (-4.7A)
CL  A 504 (-3.9A)
 1.02A 4fgzA-5tvjA:
undetectable
4fgzB-5tvjA:
undetectable		 4fgzA-5tvjA:
17.56
4fgzB-5tvjA:
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.
5uem 354NC37 FAB HEAVY
CHAIN
354NC37 FAB LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 SER H  93
GLU H  46
GLY L  94
LYS L   1
 None
 1.04A 4fgzA-5uemH:
undetectable
4fgzB-5uemH:
undetectable		 4fgzA-5uemH:
undetectable
4fgzB-5uemH:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLU A 399
TYR A 400
ARG A 404
GLY A 468
LYS A 472
 None
PC  A 702 (-4.5A)
PC  A 702 (-3.9A)
None
PC  A 702 (-2.7A)
 0.57A 4fgzA-5wp4A:
40.1
4fgzB-5wp4A:
40.1		 4fgzA-5wp4A:
23.28
4fgzB-5wp4A:
23.28
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.
5wyb PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		no annotation 4 SER B 112
GLU B 103
GLY B 228
ARG B 230
 None
 0.92A 4fgzA-5wybB:
undetectable
4fgzB-5wybB:
undetectable		 4fgzA-5wybB:
undetectable
4fgzB-5wybB:
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.
5xnr ALYQ

(Persicobacter
sp. CCB-QB2) 		no annotation 4 GLU A 323
GLU A 322
GLY A 326
LYS A 369
 None
 1.03A 4fgzA-5xnrA:
undetectable
4fgzB-5xnrA:
undetectable		 4fgzA-5xnrA:
undetectable
4fgzB-5xnrA:
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.
5yh0 DRFAM20C1

(Danio rerio) 		no annotation 4 SER A 344
ARG A 435
GLY A 456
ARG A 457
 None
 0.96A 4fgzA-5yh0A:
undetectable
4fgzB-5yh0A:
undetectable		 4fgzA-5yh0A:
undetectable
4fgzB-5yh0A:
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 4 SER C 368
ARG C 459
GLY C 480
ARG C 481
 None
 1.03A 4fgzA-5yh3C:
undetectable
4fgzB-5yh3C:
undetectable		 4fgzA-5yh3C:
undetectable
4fgzB-5yh3C:
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.
6be0 -

(-) 		no annotation 4 GLU A 236
GLU A 233
TYR A 234
GLY A 242
 None
 0.82A 4fgzA-6be0A:
undetectable
4fgzB-6be0A:
undetectable		 4fgzA-6be0A:
undetectable
4fgzB-6be0A:
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 4 GLU D  36
GLU D 299
TYR D  73
ARG D 648
 None
CL  D 721 ( 4.4A)
None
None
 1.02A 4fgzA-6eq8D:
undetectable
4fgzB-6eq8D:
undetectable		 4fgzA-6eq8D:
undetectable
4fgzB-6eq8D:
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.
6f4c ALPHA-GALACTOSIDASE

(Nicotiana
benthamiana) 		no annotation 4 SER B 136
GLU B  97
TYR B  96
GLY B  90
 None
 1.07A 4fgzA-6f4cB:
undetectable
4fgzB-6f4cB:
undetectable		 4fgzA-6f4cB:
undetectable
4fgzB-6f4cB:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 4 GLU A 170
GLU A 167
TYR A 168
GLY A 141
 None
 0.96A 4fgzA-6gkvA:
23.8
4fgzB-6gkvA:
23.8		 4fgzA-6gkvA:
undetectable
4fgzB-6gkvA:
undetectable