SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG3_W_CHDW1059_0

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.
1d02 TYPE II RESTRICTION
ENZYME MUNI

(Mycoplasma) 		PF11407
(RestrictionMunI) 		4 ILE A  86
LEU A  42
PHE A  35
LEU A 189
 None
 0.94A 3ag3N-1d02A:
undetectable
3ag3W-1d02A:
0.0		 3ag3N-1d02A:
17.47
3ag3W-1d02A:
14.07
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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ILE A 350
MET A 311
THR A 312
LEU A 315
 None
 0.84A 3ag3N-1floA:
0.0
3ag3W-1floA:
0.0		 3ag3N-1floA:
21.78
3ag3W-1floA:
9.80
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		4 ILE A 355
LEU A 358
ARG A 380
LEU A 371
 None
 0.79A 3ag3N-1gl6A:
0.1
3ag3W-1gl6A:
0.0		 3ag3N-1gl6A:
21.30
3ag3W-1gl6A:
8.56
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.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.79A 3ag3N-1harA:
undetectable
3ag3W-1harA:
0.1		 3ag3N-1harA:
18.00
3ag3W-1harA:
13.37
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.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 ILE A 332
MET A 293
THR A 292
LEU A 235
 None
 0.82A 3ag3N-1kt8A:
undetectable
3ag3W-1kt8A:
0.0		 3ag3N-1kt8A:
22.71
3ag3W-1kt8A:
12.03
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ARG A 383
MET A 416
THR A 437
LEU A 436
 None
 0.78A 3ag3N-1lrwA:
undetectable
3ag3W-1lrwA:
0.0		 3ag3N-1lrwA:
21.34
3ag3W-1lrwA:
6.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1no8 ALY

(Mus musculus) 		PF00076
(RRM_1) 		5 ILE A 121
LEU A 124
PHE A 125
MET A 175
LEU A 170
 None
 1.18A 3ag3N-1no8A:
undetectable
3ag3W-1no8A:
undetectable		 3ag3N-1no8A:
11.24
3ag3W-1no8A:
28.41
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 0.94A 3ag3N-1tmxA:
2.0
3ag3W-1tmxA:
0.0		 3ag3N-1tmxA:
20.53
3ag3W-1tmxA:
11.92
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.80A 3ag3N-1vqtA:
0.0
3ag3W-1vqtA:
0.0		 3ag3N-1vqtA:
17.18
3ag3W-1vqtA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fc9 NCL PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		4 ILE A  58
PHE A  36
ARG A  84
LEU A  23
 None
 0.84A 3ag3N-2fc9A:
undetectable
3ag3W-2fc9A:
undetectable		 3ag3N-2fc9A:
10.27
3ag3W-2fc9A:
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		4 LEU A 189
PHE A 190
THR A 244
LEU A 245
 None
 0.90A 3ag3N-2ho5A:
0.0
3ag3W-2ho5A:
undetectable		 3ag3N-2ho5A:
20.46
3ag3W-2ho5A:
18.18
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.
2idc ANTI-SILENCING
PROTEIN 1 AND
HISTONE H3 CHIMERA

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE A   9
ARG A 108
THR A  43
LEU A  42
 None
 0.90A 3ag3N-2idcA:
undetectable
3ag3W-2idcA:
undetectable		 3ag3N-2idcA:
13.97
3ag3W-2idcA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbq HARMONIN

(Homo sapiens) 		no annotation 4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.80A 3ag3N-2kbqA:
undetectable
3ag3W-2kbqA:
undetectable		 3ag3N-2kbqA:
8.84
3ag3W-2kbqA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.80A 3ag3N-2la7A:
undetectable
3ag3W-2la7A:
undetectable		 3ag3N-2la7A:
14.14
3ag3W-2la7A:
15.97
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		4 ILE A 200
PHE A 249
ARG A 228
LEU A 233
 None
 0.92A 3ag3N-2nuxA:
0.0
3ag3W-2nuxA:
undetectable		 3ag3N-2nuxA:
21.12
3ag3W-2nuxA:
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.
2o6q VARIABLE LYMPHOCYTE
RECEPTOR A

(Eptatretus
burgeri) 		PF13855
(LRR_8) 		4 ILE A  53
PHE A  79
THR A  97
LEU A  95
 None
 0.90A 3ag3N-2o6qA:
undetectable
3ag3W-2o6qA:
undetectable		 3ag3N-2o6qA:
18.29
3ag3W-2o6qA:
14.53
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.81A 3ag3N-2p0dA:
undetectable
3ag3W-2p0dA:
undetectable		 3ag3N-2p0dA:
12.67
3ag3W-2p0dA:
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE X 252
MET X 356
THR X 357
LEU X 360
 None
 0.84A 3ag3N-2p3gX:
0.0
3ag3W-2p3gX:
undetectable		 3ag3N-2p3gX:
19.81
3ag3W-2p3gX:
13.79
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		4 ILE A 566
PHE A 563
ARG A 572
LEU A 492
 None
 0.91A 3ag3N-2qqoA:
undetectable
3ag3W-2qqoA:
undetectable		 3ag3N-2qqoA:
20.44
3ag3W-2qqoA:
8.02
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 PHE A 347
MET A 334
THR A 335
LEU A 336
 None
 0.86A 3ag3N-2uvfA:
0.0
3ag3W-2uvfA:
undetectable		 3ag3N-2uvfA:
22.56
3ag3W-2uvfA:
8.13
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.
2ws9 P1

(Equine rhinitis
A virus) 		no annotation 4 LEU 1  84
PHE 1 156
THR 1 198
LEU 1 197
 None
 0.83A 3ag3N-2ws91:
undetectable
3ag3W-2ws91:
undetectable		 3ag3N-2ws91:
19.07
3ag3W-2ws91:
10.16
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.74A 3ag3N-2wy0C:
0.0
3ag3W-2wy0C:
undetectable		 3ag3N-2wy0C:
21.21
3ag3W-2wy0C:
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 ILE A 311
LEU A 305
ARG A 282
LEU A 275
 None
 0.93A 3ag3N-2x7jA:
undetectable
3ag3W-2x7jA:
undetectable		 3ag3N-2x7jA:
23.17
3ag3W-2x7jA:
7.33
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.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		5 TYR J  32
ARG J  33
MET J  36
THR J  37
LEU J  40
 None
 0.37A 3ag3N-2y69J:
undetectable
3ag3W-2y69J:
7.9		 3ag3N-2y69J:
10.31
3ag3W-2y69J:
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ILE A 617
PHE A 646
THR A 606
LEU A 635
 None
 0.77A 3ag3N-2yheA:
undetectable
3ag3W-2yheA:
undetectable		 3ag3N-2yheA:
20.41
3ag3W-2yheA:
7.39
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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 428
ARG B 441
THR B 436
LEU B 435
 None
 0.94A 3ag3N-2z7xB:
undetectable
3ag3W-2z7xB:
undetectable		 3ag3N-2z7xB:
23.01
3ag3W-2z7xB:
8.05
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A 115
PHE A  93
THR A  46
LEU A  47
 None
 0.88A 3ag3N-2zgkA:
undetectable
3ag3W-2zgkA:
undetectable		 3ag3N-2zgkA:
15.56
3ag3W-2zgkA:
12.75
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.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 230
MET A 177
THR A 176
LEU A 173
 None
 0.89A 3ag3N-2zsgA:
2.9
3ag3W-2zsgA:
undetectable		 3ag3N-2zsgA:
20.79
3ag3W-2zsgA:
10.49
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.
2zts PUTATIVE
UNCHARACTERIZED
PROTEIN PH0186

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		4 ILE A 127
PHE A 123
THR A 178
LEU A 177
 None
 0.69A 3ag3N-2ztsA:
undetectable
3ag3W-2ztsA:
undetectable		 3ag3N-2ztsA:
17.81
3ag3W-2ztsA:
12.50
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 PHE A 189
ARG A 124
MET A 248
THR A 249
LEU A 213
 None
 1.45A 3ag3N-3b7yA:
undetectable
3ag3W-3b7yA:
undetectable		 3ag3N-3b7yA:
13.39
3ag3W-3b7yA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.87A 3ag3N-3bn1A:
undetectable
3ag3W-3bn1A:
undetectable		 3ag3N-3bn1A:
21.12
3ag3W-3bn1A:
11.24
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.
3dby UNCHARACTERIZED
PROTEIN

(Bacillus cereus) 		PF11155
(DUF2935) 		4 LEU A  53
PHE A  50
ARG A  77
LEU A 115
 None
 0.88A 3ag3N-3dbyA:
1.8
3ag3W-3dbyA:
undetectable		 3ag3N-3dbyA:
17.09
3ag3W-3dbyA:
12.45
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.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		4 PHE A 255
TYR A 347
MET A 351
THR A 352
 None
 0.92A 3ag3N-3e0sA:
1.5
3ag3W-3e0sA:
undetectable		 3ag3N-3e0sA:
19.13
3ag3W-3e0sA:
10.43
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.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		4 ILE A 230
LEU A 231
THR A 219
LEU A 255
 None
 0.76A 3ag3N-3e7fA:
undetectable
3ag3W-3e7fA:
undetectable		 3ag3N-3e7fA:
19.65
3ag3W-3e7fA:
12.55
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		4 ILE A 475
LEU A 483
ARG A 516
LEU A 423
 None
 0.78A 3ag3N-3fddA:
undetectable
3ag3W-3fddA:
undetectable		 3ag3N-3fddA:
21.01
3ag3W-3fddA:
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 ILE A 200
MET A 158
THR A 159
LEU A 160
 None
 0.90A 3ag3N-3fssA:
undetectable
3ag3W-3fssA:
undetectable		 3ag3N-3fssA:
19.04
3ag3W-3fssA:
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.
3gzy BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Comamonas
testosteroni) 		PF00866
(Ring_hydroxyl_B) 		4 ILE B 165
LEU B  48
ARG B  31
LEU B  36
 None
 0.89A 3ag3N-3gzyB:
undetectable
3ag3W-3gzyB:
undetectable		 3ag3N-3gzyB:
15.34
3ag3W-3gzyB:
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 ILE A 147
LEU A 152
THR A 331
LEU A 332
 None
 0.76A 3ag3N-3h5tA:
undetectable
3ag3W-3h5tA:
undetectable		 3ag3N-3h5tA:
21.02
3ag3W-3h5tA:
9.56
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		4 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.89A 3ag3N-3h7aA:
undetectable
3ag3W-3h7aA:
undetectable		 3ag3N-3h7aA:
18.89
3ag3W-3h7aA:
11.90
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.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 LEU A  15
ARG A  37
THR A  50
LEU A  51
 None
 0.76A 3ag3N-3hi8A:
undetectable
3ag3W-3hi8A:
undetectable		 3ag3N-3hi8A:
20.53
3ag3W-3hi8A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iqd OCTOPINE
DEHYDROGENASE

(Pecten maximus) 		PF02317
(Octopine_DH) 		4 LEU B 184
PHE B 194
THR B  16
LEU B  17
 None
 0.91A 3ag3N-3iqdB:
undetectable
3ag3W-3iqdB:
undetectable		 3ag3N-3iqdB:
21.05
3ag3W-3iqdB:
9.02
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 4 ILE A  38
LEU A 130
PHE A 131
LEU A 183
 None
 0.90A 3ag3N-3j4uA:
undetectable
3ag3W-3j4uA:
undetectable		 3ag3N-3j4uA:
21.07
3ag3W-3j4uA:
13.90
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ARG A 407
MET A 410
THR A 411
LEU A 414
 None
 0.83A 3ag3N-3k13A:
undetectable
3ag3W-3k13A:
undetectable		 3ag3N-3k13A:
20.20
3ag3W-3k13A:
11.46
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.
3k1r HARMONIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.85A 3ag3N-3k1rA:
undetectable
3ag3W-3k1rA:
undetectable		 3ag3N-3k1rA:
14.45
3ag3W-3k1rA:
16.15
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.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.87A 3ag3N-3kyjB:
undetectable
3ag3W-3kyjB:
undetectable		 3ag3N-3kyjB:
15.09
3ag3W-3kyjB:
18.46
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.
3nws CELL DIVISION
CONTROL PROTEIN 13

(Saccharomyces
cerevisiae) 		PF16853
(CDC13_N) 		4 ILE A  89
ARG A 116
THR A  42
LEU A  41
 None
 0.82A 3ag3N-3nwsA:
undetectable
3ag3W-3nwsA:
undetectable		 3ag3N-3nwsA:
15.67
3ag3W-3nwsA:
14.98
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.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER

(Staphylococcus
aureus) 		PF04069
(OpuAC) 		4 LEU A 167
PHE A 194
THR A 156
LEU A 154
 None
 0.79A 3ag3N-3o66A:
undetectable
3ag3W-3o66A:
undetectable		 3ag3N-3o66A:
19.92
3ag3W-3o66A:
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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 ILE A 236
LEU A 240
THR A 270
LEU A 271
 None
 0.75A 3ag3N-3pf2A:
undetectable
3ag3W-3pf2A:
undetectable		 3ag3N-3pf2A:
18.65
3ag3W-3pf2A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q0x CENTRIOLE PROTEIN

(Chlamydomonas
reinhardtii) 		PF16531
(SAS-6_N) 		4 LEU A 153
PHE A 155
ARG A  48
LEU A  63
 None
 0.76A 3ag3N-3q0xA:
undetectable
3ag3W-3q0xA:
undetectable		 3ag3N-3q0xA:
16.90
3ag3W-3q0xA:
24.75
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE A 352
LEU A 377
THR A 348
LEU A 372
 None
 0.86A 3ag3N-3t6qA:
undetectable
3ag3W-3t6qA:
undetectable		 3ag3N-3t6qA:
19.07
3ag3W-3t6qA:
7.06
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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.78A 3ag3N-3u15A:
undetectable
3ag3W-3u15A:
undetectable		 3ag3N-3u15A:
11.22
3ag3W-3u15A:
24.74
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.
3uv0 MUTATOR 2, ISOFORM B

(Drosophila
melanogaster) 		no annotation 4 ILE A  24
PHE A  89
ARG A  55
LEU A  16
 None
 0.90A 3ag3N-3uv0A:
undetectable
3ag3W-3uv0A:
undetectable		 3ag3N-3uv0A:
10.43
3ag3W-3uv0A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 ILE A 191
LEU A 186
THR A  23
LEU A  22
 None
 0.89A 3ag3N-3v85A:
undetectable
3ag3W-3v85A:
undetectable		 3ag3N-3v85A:
17.05
3ag3W-3v85A:
13.33
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.
3wa8 CRISPR-ASSOCIATED
PROTEIN, CSE2 FAMILY

(Meiothermus
ruber) 		PF09485
(CRISPR_Cse2) 		4 LEU A  68
ARG A 164
THR A 105
LEU A 106
 None
 0.68A 3ag3N-3wa8A:
undetectable
3ag3W-3wa8A:
undetectable		 3ag3N-3wa8A:
13.36
3ag3W-3wa8A:
15.74
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.
3wg1 GALACTOSIDE-BINDING
LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A 118
PHE A  96
ARG A  66
LEU A  50
 None
None
LAT  A 201 (-3.0A)
None
 0.84A 3ag3N-3wg1A:
undetectable
3ag3W-3wg1A:
undetectable		 3ag3N-3wg1A:
15.15
3ag3W-3wg1A:
13.64
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 ILE B1632
LEU B1645
PHE B1649
LEU B1561
 None
 0.92A 3ag3N-3zefB:
2.7
3ag3W-3zefB:
undetectable		 3ag3N-3zefB:
16.71
3ag3W-3zefB:
4.77
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.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		4 ILE D 376
LEU D 399
THR D 370
LEU D 392
 None
 0.82A 3ag3N-4b8cD:
undetectable
3ag3W-4b8cD:
undetectable		 3ag3N-4b8cD:
21.05
3ag3W-4b8cD:
6.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		4 ILE A 399
LEU A 421
PHE A 400
THR A 383
 ADP  A 501 (-4.4A)
ADP  A 501 (-3.8A)
None
None
 0.83A 3ag3N-4bizA:
2.4
3ag3W-4bizA:
undetectable		 3ag3N-4bizA:
17.40
3ag3W-4bizA:
10.77
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.
4bjt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		4 ILE A 746
PHE A 769
THR A 756
LEU A 755
 None
 0.91A 3ag3N-4bjtA:
undetectable
3ag3W-4bjtA:
undetectable		 3ag3N-4bjtA:
18.11
3ag3W-4bjtA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 PHE A  78
MET A  92
THR A  93
LEU A 160
 None
 0.74A 3ag3N-4bobA:
undetectable
3ag3W-4bobA:
undetectable		 3ag3N-4bobA:
15.65
3ag3W-4bobA:
17.90
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.
4bxm ERPC

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 PHE A  73
MET A  87
THR A  88
LEU A 153
 None
 0.75A 3ag3N-4bxmA:
undetectable
3ag3W-4bxmA:
undetectable		 3ag3N-4bxmA:
15.42
3ag3W-4bxmA:
21.01
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.
4i9f GLYCEROL 3-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ILE A  93
LEU A  99
ARG A 109
LEU A  81
 None
 0.93A 3ag3N-4i9fA:
undetectable
3ag3W-4i9fA:
undetectable		 3ag3N-4i9fA:
20.93
3ag3W-4i9fA:
11.28
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ILE A 410
LEU A 438
MET A 458
LEU A 351
 None
 0.87A 3ag3N-4ia5A:
undetectable
3ag3W-4ia5A:
undetectable		 3ag3N-4ia5A:
21.70
3ag3W-4ia5A:
8.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 LEU A 675
ARG A 693
THR A 697
LEU A 700
 None
 0.94A 3ag3N-4ifqA:
undetectable
3ag3W-4ifqA:
undetectable		 3ag3N-4ifqA:
17.79
3ag3W-4ifqA:
4.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ILE B 512
LEU B 537
PHE B 558
LEU B 452
 None
 0.90A 3ag3N-4l37B:
undetectable
3ag3W-4l37B:
undetectable		 3ag3N-4l37B:
18.83
3ag3W-4l37B:
6.17
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ILE A 100
LEU A  26
ARG A   8
LEU A  14
 None
 0.93A 3ag3N-4mjdA:
undetectable
3ag3W-4mjdA:
undetectable		 3ag3N-4mjdA:
12.00
3ag3W-4mjdA:
18.92
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 662
LEU A 683
THR A 674
LEU A 672
 None
 0.67A 3ag3N-4om9A:
undetectable
3ag3W-4om9A:
undetectable		 3ag3N-4om9A:
19.71
3ag3W-4om9A:
5.34
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		4 ILE A  31
LEU A  58
THR A 245
LEU A 244
 None
 0.94A 3ag3N-4oteA:
undetectable
3ag3W-4oteA:
undetectable		 3ag3N-4oteA:
17.12
3ag3W-4oteA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rq9 PHOTORECEPTOR-HISTID
INE KINASE BPHP

(Stigmatella
aurantiaca) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 123
ARG A 118
THR A  46
LEU A  45
 None
 0.91A 3ag3N-4rq9A:
undetectable
3ag3W-4rq9A:
undetectable		 3ag3N-4rq9A:
18.92
3ag3W-4rq9A:
10.32
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.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.69A 3ag3N-4rrpM:
undetectable
3ag3W-4rrpM:
undetectable		 3ag3N-4rrpM:
13.87
3ag3W-4rrpM:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rw3 PHOSPHOLIPASE D
LISICTOX-ALPHAIA1BII

(Loxosceles
intermedia) 		no annotation 4 ILE A 130
PHE A  91
ARG A  72
LEU A  86
 None
 0.93A 3ag3N-4rw3A:
undetectable
3ag3W-4rw3A:
undetectable		 3ag3N-4rw3A:
20.23
3ag3W-4rw3A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		4 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.87A 3ag3N-4w1wA:
undetectable
3ag3W-4w1wA:
undetectable		 3ag3N-4w1wA:
22.73
3ag3W-4w1wA:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 0.91A 3ag3N-4yk6A:
2.5
3ag3W-4yk6A:
undetectable		 3ag3N-4yk6A:
18.86
3ag3W-4yk6A:
13.62
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.42A 3ag3N-4zi6A:
0.7
3ag3W-4zi6A:
undetectable		 3ag3N-4zi6A:
22.57
3ag3W-4zi6A:
9.28
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.
4zo0 PROTEIN REP68

(Adeno-associated
dependoparvovirus
A) 		PF08724
(Rep_N) 		4 ILE A   9
PHE A 132
ARG A 119
THR A  65
 None
 0.73A 3ag3N-4zo0A:
undetectable
3ag3W-4zo0A:
undetectable		 3ag3N-4zo0A:
16.50
3ag3W-4zo0A:
17.78
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 ILE A 484
LEU A 491
PHE A 452
LEU A 440
 None
 0.87A 3ag3N-5a5tA:
undetectable
3ag3W-5a5tA:
undetectable		 3ag3N-5a5tA:
13.37
3ag3W-5a5tA:
5.52
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.
5aeo R. EQUI VAPG PROTEIN

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 ILE A 132
LEU A 112
THR A  61
LEU A  60
 None
 0.70A 3ag3N-5aeoA:
undetectable
3ag3W-5aeoA:
undetectable		 3ag3N-5aeoA:
15.81
3ag3W-5aeoA:
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.
5bq5 INSERTION SEQUENCE
IS5376 PUTATIVE
ATP-BINDING PROTEIN

(Geobacillus
stearothermophilus) 		PF01695
(IstB_IS21) 		4 LEU A 114
PHE A 103
THR A  91
LEU A  90
 None
 0.91A 3ag3N-5bq5A:
undetectable
3ag3W-5bq5A:
undetectable		 3ag3N-5bq5A:
18.66
3ag3W-5bq5A:
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.
5c9e SEPL

(Escherichia
coli) 		PF07201
(HrpJ) 		4 LEU A 315
PHE A 312
THR A 290
LEU A 289
 None
 0.84A 3ag3N-5c9eA:
3.1
3ag3W-5c9eA:
undetectable		 3ag3N-5c9eA:
19.39
3ag3W-5c9eA:
14.98
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 PHE A 186
ARG A 109
THR A  99
LEU A  98
 None
 0.89A 3ag3N-5dkxA:
undetectable
3ag3W-5dkxA:
undetectable		 3ag3N-5dkxA:
18.91
3ag3W-5dkxA:
5.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 279
PHE A 303
THR A 262
LEU A 260
 None
 0.94A 3ag3N-5gs0A:
undetectable
3ag3W-5gs0A:
undetectable		 3ag3N-5gs0A:
21.21
3ag3W-5gs0A:
8.92
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		4 ILE B 450
PHE B 427
ARG B 460
LEU B 466
 None
 0.93A 3ag3N-5hz1B:
undetectable
3ag3W-5hz1B:
undetectable		 3ag3N-5hz1B:
22.05
3ag3W-5hz1B:
7.60
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.
5i2q EF-HAND
DOMAIN-CONTAINING
PROTEIN D2

(Homo sapiens) 		PF13405
(EF-hand_6) 		4 ILE A 156
LEU A 171
MET A 121
LEU A 117
 None
 0.87A 3ag3N-5i2qA:
undetectable
3ag3W-5i2qA:
undetectable		 3ag3N-5i2qA:
11.61
3ag3W-5i2qA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 ILE A 253
LEU A 250
ARG A 197
LEU A 165
 None
 0.83A 3ag3N-5idiA:
undetectable
3ag3W-5idiA:
undetectable		 3ag3N-5idiA:
21.38
3ag3W-5idiA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 928
PHE A 931
THR A 881
LEU A 884
 None
 0.72A 3ag3N-5j6sA:
undetectable
3ag3W-5j6sA:
undetectable		 3ag3N-5j6sA:
20.29
3ag3W-5j6sA:
5.42
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.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE TRIM56

(Homo sapiens) 		PF13445
(zf-RING_UBOX) 		4 ILE B  23
LEU B  48
THR B  33
LEU B  34
 None
 0.73A 3ag3N-5jw7B:
undetectable
3ag3W-5jw7B:
undetectable		 3ag3N-5jw7B:
10.76
3ag3W-5jw7B:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 ILE A 703
LEU A 700
THR A  82
LEU A  81
 None
 0.85A 3ag3N-5jwfA:
undetectable
3ag3W-5jwfA:
undetectable		 3ag3N-5jwfA:
20.60
3ag3W-5jwfA:
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 286
ARG A 277
THR A 275
LEU A 274
 None
 0.92A 3ag3N-5k9tA:
undetectable
3ag3W-5k9tA:
undetectable		 3ag3N-5k9tA:
21.11
3ag3W-5k9tA:
7.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		4 PHE A 365
ARG A 253
THR A 300
LEU A 299
 None
 0.88A 3ag3N-5lmcA:
undetectable
3ag3W-5lmcA:
undetectable		 3ag3N-5lmcA:
20.94
3ag3W-5lmcA:
8.77
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.
5nbq OUTER SURFACE
PROTEIN E

(Borreliella
burgdorferi) 		no annotation 4 PHE G  86
MET G 100
THR G 101
LEU G 166
 None
 0.81A 3ag3N-5nbqG:
undetectable
3ag3W-5nbqG:
undetectable		 3ag3N-5nbqG:
undetectable
3ag3W-5nbqG:
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 4 ILE A 427
MET A 477
THR A 476
LEU A 475
 None
 0.77A 3ag3N-5ny0A:
undetectable
3ag3W-5ny0A:
undetectable		 3ag3N-5ny0A:
undetectable
3ag3W-5ny0A:
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.
5oqj RNA POLYMERASE II
TRANSCRIPTION FACTOR
B SUBUNIT 1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU 1  60
PHE 1  91
THR 1  28
LEU 1  27
 None
 0.62A 3ag3N-5oqj1:
3.5
3ag3W-5oqj1:
undetectable		 3ag3N-5oqj1:
undetectable
3ag3W-5oqj1:
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH SUBUNIT TFB1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU 1  60
PHE 1  91
THR 1  28
LEU 1  27
 None
 0.67A 3ag3N-5oqm1:
3.5
3ag3W-5oqm1:
undetectable		 3ag3N-5oqm1:
undetectable
3ag3W-5oqm1:
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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 ILE B 127
PHE B 147
THR B 300
LEU B 299
 None
 0.81A 3ag3N-5tpwB:
undetectable
3ag3W-5tpwB:
undetectable		 3ag3N-5tpwB:
20.58
3ag3W-5tpwB:
11.44
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.
5vob ENVELOPE
GLYCOPROTEIN UL128

(Human
betaherpesvirus
5) 		no annotation 4 ILE C 109
LEU C 103
THR C  85
LEU C  84
 None
 0.85A 3ag3N-5vobC:
undetectable
3ag3W-5vobC:
undetectable		 3ag3N-5vobC:
14.92
3ag3W-5vobC:
19.75
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 243
TYR A  76
ARG A  78
LEU A 591
 None
 0.92A 3ag3N-5wugA:
undetectable
3ag3W-5wugA:
undetectable		 3ag3N-5wugA:
undetectable
3ag3W-5wugA:
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 ILE F 201
LEU F 221
THR F 278
LEU F 271
 None
 0.77A 3ag3N-5xagF:
undetectable
3ag3W-5xagF:
undetectable		 3ag3N-5xagF:
undetectable
3ag3W-5xagF:
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.
5xu1 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 ILE A  88
LEU A 167
PHE A  90
THR A  59
 None
 0.76A 3ag3N-5xu1A:
undetectable
3ag3W-5xu1A:
undetectable		 3ag3N-5xu1A:
undetectable
3ag3W-5xu1A:
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.
5yks SNF-RELATED
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		no annotation 4 ILE A 204
LEU A 201
THR A 157
LEU A 156
 None
 0.85A 3ag3N-5yksA:
2.0
3ag3W-5yksA:
undetectable		 3ag3N-5yksA:
19.85
3ag3W-5yksA:
9.42
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.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.83A 3ag3N-6gsaD:
undetectable
3ag3W-6gsaD:
undetectable		 3ag3N-6gsaD:
undetectable
3ag3W-6gsaD:
undetectable