SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG1_W_CHDW1059

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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A  62
MET A 149
THR A 147
LEU A 146
 None
 1.02A 3ag1N-1b3nA:
0.5
3ag1W-1b3nA:
0.0		 3ag1N-1b3nA:
21.57
3ag1W-1b3nA:
9.25
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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		5 ILE A 350
ARG A 308
MET A 311
THR A 312
LEU A 315
 None
 1.14A 3ag1N-1floA:
0.1
3ag1W-1floA:
0.0		 3ag1N-1floA:
21.78
3ag1W-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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 ILE A 128
ARG A  14
THR A  96
LEU A  97
 None
 0.82A 3ag1N-1g0dA:
0.0
3ag1W-1g0dA:
0.0		 3ag1N-1g0dA:
19.23
3ag1W-1g0dA:
6.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
ARG A  40
THR A  38
LEU A  37
 None
 0.83A 3ag1N-1jedA:
0.0
3ag1W-1jedA:
0.0		 3ag1N-1jedA:
21.17
3ag1W-1jedA:
8.97
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.
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
 0.92A 3ag1N-1kt8A:
0.0
3ag1W-1kt8A:
0.0		 3ag1N-1kt8A:
22.71
3ag1W-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
 0.82A 3ag1N-1lrwA:
undetectable
3ag1W-1lrwA:
0.0		 3ag1N-1lrwA:
21.34
3ag1W-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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		4 ILE A 248
MET A 188
THR A 189
LEU A 191
 None
 1.02A 3ag1N-1mhmA:
0.0
3ag1W-1mhmA:
0.0		 3ag1N-1mhmA:
21.00
3ag1W-1mhmA:
9.47
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.
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN

(Homo sapiens;
Homo sapiens) 		PF03153
(TFIIA)
PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C) 		4 ILE C 342
ARG D  66
THR D  64
LEU D  62
 None
 1.00A 3ag1N-1nvpC:
undetectable
3ag1W-1nvpC:
undetectable		 3ag1N-1nvpC:
9.31
3ag1W-1nvpC:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A  65
TYR A 148
THR A 166
LEU A 169
 None
 1.03A 3ag1N-1or4A:
0.0
3ag1W-1or4A:
undetectable		 3ag1N-1or4A:
14.76
3ag1W-1or4A:
17.58
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ILE A 666
MET A 736
THR A 734
LEU A 733
 None
 0.93A 3ag1N-1qf7A:
0.0
3ag1W-1qf7A:
undetectable		 3ag1N-1qf7A:
21.37
3ag1W-1qf7A:
6.27
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ILE A 366
MET A 386
THR A 285
LEU A 286
 None
 0.99A 3ag1N-1qu4A:
undetectable
3ag1W-1qu4A:
undetectable		 3ag1N-1qu4A:
22.14
3ag1W-1qu4A:
9.09
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
ARG A  40
THR A  38
LEU A  37
 None
 0.85A 3ag1N-1r6xA:
0.0
3ag1W-1r6xA:
undetectable		 3ag1N-1r6xA:
21.48
3ag1W-1r6xA:
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.
1vbc POLIOVIRUS TYPE 3

(Enterovirus C) 		PF00073
(Rhv) 		4 ILE 3  82
ARG 3 197
THR 3 127
LEU 3 158
 None
 0.92A 3ag1N-1vbc3:
undetectable
3ag1W-1vbc3:
undetectable		 3ag1N-1vbc3:
18.30
3ag1W-1vbc3:
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.90A 3ag1N-1vqtA:
undetectable
3ag1W-1vqtA:
undetectable		 3ag1N-1vqtA:
17.18
3ag1W-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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 TYR A1179
ARG A1205
THR A1207
LEU A1210
 None
 1.01A 3ag1N-2b39A:
3.1
3ag1W-2b39A:
undetectable		 3ag1N-2b39A:
14.95
3ag1W-2b39A:
3.49
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.87A 3ag1N-2bwgA:
undetectable
3ag1W-2bwgA:
undetectable		 3ag1N-2bwgA:
21.02
3ag1W-2bwgA:
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		4 ARG A 167
MET A 170
THR A 171
LEU A 174
 None
 0.75A 3ag1N-2fe8A:
undetectable
3ag1W-2fe8A:
undetectable		 3ag1N-2fe8A:
19.88
3ag1W-2fe8A:
10.79
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 ILE A 362
ARG A 469
THR A 464
LEU A 463
 None
 0.75A 3ag1N-2gduA:
undetectable
3ag1W-2gduA:
undetectable		 3ag1N-2gduA:
22.71
3ag1W-2gduA:
7.94
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.
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
 0.89A 3ag1N-2idcA:
undetectable
3ag1W-2idcA:
undetectable		 3ag1N-2idcA:
13.97
3ag1W-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.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 ILE A 197
ARG A  66
THR A  77
LEU A  76
 None
 1.02A 3ag1N-2iorA:
undetectable
3ag1W-2iorA:
undetectable		 3ag1N-2iorA:
17.85
3ag1W-2iorA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ocd L-ASPARAGINASE I

(Vibrio cholerae) 		PF00710
(Asparaginase) 		4 ARG A 157
MET A 335
THR A 336
LEU A 337
 None
 0.96A 3ag1N-2ocdA:
undetectable
3ag1W-2ocdA:
undetectable		 3ag1N-2ocdA:
20.19
3ag1W-2ocdA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.66A 3ag1N-2p3gX:
1.7
3ag1W-2p3gX:
undetectable		 3ag1N-2p3gX:
19.81
3ag1W-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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.99A 3ag1N-2xe4A:
undetectable
3ag1W-2xe4A:
undetectable		 3ag1N-2xe4A:
19.95
3ag1W-2xe4A:
6.97
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.
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
 0.35A 3ag1N-2y69J:
undetectable
3ag1W-2y69J:
7.7		 3ag1N-2y69J:
10.31
3ag1W-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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 420
MET A 438
THR A 416
LEU A 415
 None
 0.85A 3ag1N-2z81A:
undetectable
3ag1W-2z81A:
undetectable		 3ag1N-2z81A:
19.70
3ag1W-2z81A:
8.19
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 ILE A 424
MET A 475
THR A 476
LEU A 479
 None
 0.87A 3ag1N-2ziuA:
undetectable
3ag1W-2ziuA:
undetectable		 3ag1N-2ziuA:
18.55
3ag1W-2ziuA:
10.29
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.43A 3ag1N-2ziuA:
undetectable
3ag1W-2ziuA:
undetectable		 3ag1N-2ziuA:
18.55
3ag1W-2ziuA:
10.29
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.
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
 0.92A 3ag1N-2zsgA:
undetectable
3ag1W-2zsgA:
undetectable		 3ag1N-2zsgA:
20.79
3ag1W-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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ILE A  59
ARG A 126
THR A 105
LEU A 106
 None
 0.96A 3ag1N-3a24A:
undetectable
3ag1W-3a24A:
undetectable		 3ag1N-3a24A:
22.34
3ag1W-3a24A:
7.64
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ILE A 121
ARG A 178
THR A  11
LEU A 232
 None
 0.98A 3ag1N-3a5rA:
undetectable
3ag1W-3a5rA:
undetectable		 3ag1N-3a5rA:
21.33
3ag1W-3a5rA:
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		4 ILE A 608
ARG A 602
THR A 641
LEU A 640
 None
C  E  61 ( 3.6A)
G  E  62 ( 3.2A)
None
 1.03A 3ag1N-3a6pA:
undetectable
3ag1W-3a6pA:
undetectable		 3ag1N-3a6pA:
18.17
3ag1W-3a6pA:
4.28
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.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN

(Bacillus
subtilis) 		PF01019
(G_glu_transpept) 		4 TYR A 332
MET A 328
THR A 327
LEU A 324
 None
 1.02A 3ag1N-3a75A:
undetectable
3ag1W-3a75A:
undetectable		 3ag1N-3a75A:
23.06
3ag1W-3a75A:
12.81
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.93A 3ag1N-3bn1A:
undetectable
3ag1W-3bn1A:
undetectable		 3ag1N-3bn1A:
21.12
3ag1W-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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 ILE A  64
TYR A 128
MET A 132
LEU A 136
 None
 0.60A 3ag1N-3ctzA:
undetectable
3ag1W-3ctzA:
undetectable		 3ag1N-3ctzA:
21.45
3ag1W-3ctzA:
7.66
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 ILE A 588
MET A 547
THR A 573
LEU A 574
 None
 1.03A 3ag1N-3d3aA:
undetectable
3ag1W-3d3aA:
undetectable		 3ag1N-3d3aA:
20.83
3ag1W-3d3aA:
7.56
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.
3d3m EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2) 		4 ILE A 861
MET A 773
THR A 774
LEU A 777
 None
 0.84A 3ag1N-3d3mA:
undetectable
3ag1W-3d3mA:
undetectable		 3ag1N-3d3mA:
15.54
3ag1W-3d3mA:
17.20
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.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		4 ILE A 644
ARG A 680
MET A 676
LEU A 675
 None
 0.93A 3ag1N-3ebbA:
2.2
3ag1W-3ebbA:
undetectable		 3ag1N-3ebbA:
19.27
3ag1W-3ebbA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.97A 3ag1N-3fg4A:
undetectable
3ag1W-3fg4A:
undetectable		 3ag1N-3fg4A:
20.56
3ag1W-3fg4A:
8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 ILE A 200
MET A 158
THR A 159
LEU A 160
 None
 0.97A 3ag1N-3fssA:
undetectable
3ag1W-3fssA:
undetectable		 3ag1N-3fssA:
19.04
3ag1W-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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.94A 3ag1N-3gjuA:
undetectable
3ag1W-3gjuA:
undetectable		 3ag1N-3gjuA:
22.26
3ag1W-3gjuA:
9.55
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.
3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7

(Escherichia
coli;
Dermatophagoides
pteronyssinus) 		PF13416
(SBP_bac_8)
PF16984
(Grp7_allergen) 		4 ARG A1195
MET A1198
THR A1199
LEU A1202
 None
 0.79A 3ag1N-3h4zA:
undetectable
3ag1W-3h4zA:
undetectable		 3ag1N-3h4zA:
22.01
3ag1W-3h4zA:
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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.97A 3ag1N-3hn5A:
undetectable
3ag1W-3hn5A:
undetectable		 3ag1N-3hn5A:
17.12
3ag1W-3hn5A:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 3ag1N-3k13A:
undetectable
3ag1W-3k13A:
undetectable		 3ag1N-3k13A:
20.20
3ag1W-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.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.96A 3ag1N-3kyjB:
undetectable
3ag1W-3kyjB:
undetectable		 3ag1N-3kyjB:
15.09
3ag1W-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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		4 ILE A 324
MET A 236
THR A 237
LEU A 240
 None
 0.95A 3ag1N-3l6aA:
undetectable
3ag1W-3l6aA:
undetectable		 3ag1N-3l6aA:
18.63
3ag1W-3l6aA:
9.92
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.
3mem PUTATIVE SIGNAL
TRANSDUCTION PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF04073
(tRNA_edit)
PF08668
(HDOD) 		4 ILE A 445
ARG A 406
THR A 404
LEU A 410
 None
 0.87A 3ag1N-3memA:
undetectable
3ag1W-3memA:
undetectable		 3ag1N-3memA:
20.84
3ag1W-3memA:
8.58
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.
3ml4 PROTEIN DOK-7

(Mus musculus) 		PF02174
(IRS) 		4 ILE A 104
ARG A  27
THR A  58
LEU A  59
 None
 0.97A 3ag1N-3ml4A:
undetectable
3ag1W-3ml4A:
undetectable		 3ag1N-3ml4A:
18.97
3ag1W-3ml4A:
16.43
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 ILE A 283
ARG A 298
THR A 296
LEU A 295
 None
 0.87A 3ag1N-3muuA:
undetectable
3ag1W-3muuA:
undetectable		 3ag1N-3muuA:
21.45
3ag1W-3muuA:
6.16
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 TYR A 191
MET A 141
THR A 142
LEU A 145
 None
 0.87A 3ag1N-3q6vA:
undetectable
3ag1W-3q6vA:
undetectable		 3ag1N-3q6vA:
17.76
3ag1W-3q6vA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ARG A 181
MET A 187
THR A 188
LEU A 191
 None
 0.93A 3ag1N-3qp9A:
undetectable
3ag1W-3qp9A:
undetectable		 3ag1N-3qp9A:
22.76
3ag1W-3qp9A:
7.05
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.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 TYR A 315
MET A 319
THR A 320
LEU A 324
 None
 0.97A 3ag1N-3se7A:
undetectable
3ag1W-3se7A:
undetectable		 3ag1N-3se7A:
21.97
3ag1W-3se7A:
10.15
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 231
MET A 335
THR A 336
LEU A 339
 None
 0.81A 3ag1N-3sheA:
2.2
3ag1W-3sheA:
undetectable		 3ag1N-3sheA:
19.73
3ag1W-3sheA:
13.65
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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.95A 3ag1N-3u15A:
undetectable
3ag1W-3u15A:
undetectable		 3ag1N-3u15A:
11.22
3ag1W-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.
3uv1 DER F 7 ALLERGEN

(Dermatophagoides
farinae) 		PF16984
(Grp7_allergen) 		4 ARG A 178
MET A 181
THR A 182
LEU A 185
 None
 0.77A 3ag1N-3uv1A:
undetectable
3ag1W-3uv1A:
undetectable		 3ag1N-3uv1A:
17.05
3ag1W-3uv1A:
20.67
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.
3vgs NUCLEOSIDE
DIPHOSPHATE KINASE

(Halomonas sp.
#593) 		PF00334
(NDK) 		4 ILE A 103
ARG A  87
THR A   6
LEU A  77
 None
 1.01A 3ag1N-3vgsA:
undetectable
3ag1W-3vgsA:
undetectable		 3ag1N-3vgsA:
13.81
3ag1W-3vgsA:
16.91
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 ILE A   3
ARG A  88
THR A 223
LEU A 226
 None
 0.92A 3ag1N-3vuoA:
3.5
3ag1W-3vuoA:
undetectable		 3ag1N-3vuoA:
16.56
3ag1W-3vuoA:
4.84
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		4 ILE A  20
ARG A  24
THR A 212
LEU A 211
 None
 0.96A 3ag1N-4a0mA:
undetectable
3ag1W-4a0mA:
undetectable		 3ag1N-4a0mA:
21.12
3ag1W-4a0mA:
8.50
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 ILE A 438
MET A 390
THR A 391
LEU A 394
 None
 0.84A 3ag1N-4a2qA:
4.4
3ag1W-4a2qA:
undetectable		 3ag1N-4a2qA:
18.94
3ag1W-4a2qA:
5.46
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.
4bug ANCILLARY PROTEIN 1

(Streptococcus
pyogenes) 		PF08341
(TED) 		4 ILE A 578
ARG A 461
THR A 562
LEU A 561
 None
 0.83A 3ag1N-4bugA:
undetectable
3ag1W-4bugA:
undetectable		 3ag1N-4bugA:
22.22
3ag1W-4bugA:
8.84
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		4 ILE A  53
ARG A 146
THR A 158
LEU A 161
 None
 0.97A 3ag1N-4h08A:
undetectable
3ag1W-4h08A:
undetectable		 3ag1N-4h08A:
16.50
3ag1W-4h08A:
13.85
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.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 225
MET A 231
THR A 232
LEU A 234
 None
 1.02A 3ag1N-4hq1A:
undetectable
3ag1W-4hq1A:
undetectable		 3ag1N-4hq1A:
22.32
3ag1W-4hq1A:
7.68
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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 296
MET A 301
THR A 302
LEU A 305
 None
 0.93A 3ag1N-4k3bA:
undetectable
3ag1W-4k3bA:
undetectable		 3ag1N-4k3bA:
19.36
3ag1W-4k3bA:
5.95
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.
4lw6 BETA-4-GALACTOSYLTRA
NSFERASE 7

(Drosophila
melanogaster) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		4 ILE A 186
MET A  97
THR A  98
LEU A 101
 None
 1.01A 3ag1N-4lw6A:
undetectable
3ag1W-4lw6A:
undetectable		 3ag1N-4lw6A:
18.40
3ag1W-4lw6A:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ops MAJOR CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ILE A 365
ARG A 287
THR A 335
LEU A 334
 None
 1.03A 3ag1N-4opsA:
undetectable
3ag1W-4opsA:
undetectable		 3ag1N-4opsA:
20.38
3ag1W-4opsA:
11.61
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.70A 3ag1N-4oqfA:
undetectable
3ag1W-4oqfA:
undetectable		 3ag1N-4oqfA:
20.15
3ag1W-4oqfA:
12.07
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.
4p3i P DOMAIN OF VP1

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		4 ILE A 491
ARG A 270
THR A 272
LEU A 273
 None
 0.96A 3ag1N-4p3iA:
undetectable
3ag1W-4p3iA:
undetectable		 3ag1N-4p3iA:
19.92
3ag1W-4p3iA:
11.07
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP3

(Enterovirus C) 		PF00073
(Rhv) 		4 ILE 3  81
ARG 3 196
THR 3 126
LEU 3 157
 None
 0.83A 3ag1N-4q4y3:
undetectable
3ag1W-4q4y3:
undetectable		 3ag1N-4q4y3:
19.75
3ag1W-4q4y3:
11.67
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.
4r8l UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF00710
(Asparaginase) 		4 ARG A 182
MET A 358
THR A 359
LEU A 360
 None
 1.03A 3ag1N-4r8lA:
undetectable
3ag1W-4r8lA:
undetectable		 3ag1N-4r8lA:
23.21
3ag1W-4r8lA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ILE A 338
ARG A 307
MET A  40
THR A  39
 None
GLA  A 503 (-2.8A)
None
GLA  A 502 ( 3.8A)
 0.89A 3ag1N-4rk9A:
undetectable
3ag1W-4rk9A:
undetectable		 3ag1N-4rk9A:
21.64
3ag1W-4rk9A:
7.35
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.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.78A 3ag1N-4rrpM:
undetectable
3ag1W-4rrpM:
undetectable		 3ag1N-4rrpM:
13.87
3ag1W-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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		4 ILE A 239
MET A 201
THR A 202
LEU A 205
 None
 0.83A 3ag1N-4rweA:
undetectable
3ag1W-4rweA:
undetectable		 3ag1N-4rweA:
20.54
3ag1W-4rweA:
11.78
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		4 ILE C 369
TYR C 384
THR C 380
LEU C 379
 None
 0.78A 3ag1N-4xgcC:
2.9
3ag1W-4xgcC:
undetectable		 3ag1N-4xgcC:
20.24
3ag1W-4xgcC:
6.64
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ILE A 259
MET A 368
THR A 367
LEU A 319
 None
 0.99A 3ag1N-4xkqA:
undetectable
3ag1W-4xkqA:
undetectable		 3ag1N-4xkqA:
20.93
3ag1W-4xkqA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru HEN1

(Capnocytophaga
gingivalis) 		no annotation 4 ILE C 171
ARG C 155
THR C 145
LEU C 152
 None
 1.01A 3ag1N-4xruC:
undetectable
3ag1W-4xruC:
undetectable		 3ag1N-4xruC:
20.49
3ag1W-4xruC:
8.49
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.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		4 ILE A  71
MET A 203
THR A 202
LEU A 200
 None
 1.02A 3ag1N-4ywcA:
undetectable
3ag1W-4ywcA:
undetectable		 3ag1N-4ywcA:
17.12
3ag1W-4ywcA:
13.06
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.
4zbl PHOTOSESITIZER
MKILLERORANGE

(Hydrozoa) 		PF01353
(GFP) 		4 ILE A 163
ARG A  97
MET A 104
THR A 105
 4M9  A  65 ( 4.0A)
None
None
None
 0.90A 3ag1N-4zblA:
undetectable
3ag1W-4zblA:
undetectable		 3ag1N-4zblA:
18.38
3ag1W-4zblA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		4 ILE A 439
MET A 190
THR A 191
LEU A 192
 None
 1.03A 3ag1N-4zdaA:
undetectable
3ag1W-4zdaA:
undetectable		 3ag1N-4zdaA:
20.57
3ag1W-4zdaA:
5.91
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.
4zgz ANTIZYME INHIBITOR 1

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ILE A 364
MET A 384
THR A 282
LEU A 283
 None
 1.00A 3ag1N-4zgzA:
undetectable
3ag1W-4zgzA:
undetectable		 3ag1N-4zgzA:
22.26
3ag1W-4zgzA:
9.43
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.
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
 0.51A 3ag1N-4zi6A:
undetectable
3ag1W-4zi6A:
undetectable		 3ag1N-4zi6A:
22.57
3ag1W-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
ARG A 119
THR A  65
LEU A  64
 None
 0.93A 3ag1N-4zo0A:
undetectable
3ag1W-4zo0A:
undetectable		 3ag1N-4zo0A:
16.50
3ag1W-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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ILE A 653
MET A 344
THR A 341
LEU A 340
 None
 0.94A 3ag1N-5a0zA:
3.7
3ag1W-5a0zA:
undetectable		 3ag1N-5a0zA:
21.19
3ag1W-5a0zA:
5.88
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 ARG A 276
MET A 279
THR A 280
LEU A 283
 None
 0.94A 3ag1N-5ezrA:
1.9
3ag1W-5ezrA:
undetectable		 3ag1N-5ezrA:
20.35
3ag1W-5ezrA:
6.28
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.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ILE A 497
ARG A 265
THR A 267
LEU A 268
 None
 0.96A 3ag1N-5f4jA:
undetectable
3ag1W-5f4jA:
undetectable		 3ag1N-5f4jA:
20.83
3ag1W-5f4jA:
11.60
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		4 ILE A4801
TYR A4762
MET A4765
THR A4767
 None
 0.93A 3ag1N-5f59A:
undetectable
3ag1W-5f59A:
undetectable		 3ag1N-5f59A:
13.20
3ag1W-5f59A:
14.38
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.
5fgc ANTI-HCV E2 FAB
HC33.8 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE B  57
ARG B  75
THR B  73
LEU B  72
 None
 0.94A 3ag1N-5fgcB:
undetectable
3ag1W-5fgcB:
undetectable		 3ag1N-5fgcB:
16.80
3ag1W-5fgcB:
13.88
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.
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2

(Homo sapiens;
Homo sapiens) 		PF03153
(TFIIA)
PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C) 		4 ILE C 342
ARG D  66
THR D  64
LEU D  62
 None
 1.00A 3ag1N-5furC:
undetectable
3ag1W-5furC:
undetectable		 3ag1N-5furC:
6.86
3ag1W-5furC:
24.59
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.
5hk8 PROBABLE
PHEOPHORBIDASE

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		4 ILE A 108
ARG A 255
THR A 248
LEU A 249
 None
 1.00A 3ag1N-5hk8A:
undetectable
3ag1W-5hk8A:
undetectable		 3ag1N-5hk8A:
20.08
3ag1W-5hk8A:
10.40
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.
5iig VACUOLAR TRANSPORTER
CHAPERONE 4

(Saccharomyces
cerevisiae) 		PF03105
(SPX)
PF09359
(VTC) 		4 ARG A 356
MET A 382
THR A 381
LEU A 380
 None
 0.96A 3ag1N-5iigA:
2.9
3ag1W-5iigA:
undetectable		 3ag1N-5iigA:
20.84
3ag1W-5iigA:
9.17
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia pestis) 		PF04390
(LptE) 		4 ILE B  32
ARG B  56
THR B  54
LEU B  17
 None
 1.01A 3ag1N-5ixmB:
undetectable
3ag1W-5ixmB:
undetectable		 3ag1N-5ixmB:
15.20
3ag1W-5ixmB:
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.
5l9w ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 TYR B 224
MET B 228
THR B 229
LEU B 232
 None
 0.59A 3ag1N-5l9wB:
undetectable
3ag1W-5l9wB:
undetectable		 3ag1N-5l9wB:
22.24
3ag1W-5l9wB:
6.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mih PA-I GALACTOPHILIC
LECTIN

(Pseudomonas
aeruginosa) 		no annotation 4 ILE A  26
MET A  67
THR A  95
LEU A  96
 None
 1.03A 3ag1N-5mihA:
undetectable
3ag1W-5mihA:
undetectable		 3ag1N-5mihA:
14.46
3ag1W-5mihA:
22.88
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 ILE A 717
MET A 775
THR A 776
LEU A 779
 None
 0.98A 3ag1N-5mqsA:
undetectable
3ag1W-5mqsA:
undetectable		 3ag1N-5mqsA:
17.25
3ag1W-5mqsA:
4.24
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		4 TYR A 392
ARG A 393
MET A 396
THR A 397
 None
 0.78A 3ag1N-5mwlA:
undetectable
3ag1W-5mwlA:
undetectable		 3ag1N-5mwlA:
19.60
3ag1W-5mwlA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.99A 3ag1N-5nm7G:
undetectable
3ag1W-5nm7G:
undetectable		 3ag1N-5nm7G:
undetectable
3ag1W-5nm7G:
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
 0.69A 3ag1N-5ny0A:
undetectable
3ag1W-5ny0A:
undetectable		 3ag1N-5ny0A:
undetectable
3ag1W-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.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 695
MET A 735
THR A 736
LEU A 731
 None
 0.98A 3ag1N-5td2A:
3.2
3ag1W-5td2A:
undetectable		 3ag1N-5td2A:
20.72
3ag1W-5td2A:
15.20
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.
5uvd NUCLEOTIDYLTRANSFERA
SE-LIKE PROTEIN

(Paracoccidioides
brasiliensis) 		no annotation 4 ILE A 143
ARG A 125
THR A 127
LEU A 128
 None
 1.03A 3ag1N-5uvdA:
undetectable
3ag1W-5uvdA:
undetectable		 3ag1N-5uvdA:
undetectable
3ag1W-5uvdA:
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.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 4 TYR A  26
MET A  29
THR A  30
LEU A  33
 None
 0.90A 3ag1N-5xk8A:
undetectable
3ag1W-5xk8A:
undetectable		 3ag1N-5xk8A:
undetectable
3ag1W-5xk8A:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A 588
MET A 547
THR A 573
LEU A 574
 None
 1.02A 3ag1N-6eonA:
undetectable
3ag1W-6eonA:
undetectable		 3ag1N-6eonA:
19.85
3ag1W-6eonA:
6.65
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.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.78A 3ag1N-6gsaD:
undetectable
3ag1W-6gsaD:
undetectable		 3ag1N-6gsaD:
undetectable
3ag1W-6gsaD:
undetectable