SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG3_J_CHDJ60

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.
1e0c SULFURTRANSFERASE

(Azotobacter
vinelandii) 		PF00581
(Rhodanese) 		4 ILE A  11
LEU A 113
ARG A 109
LEU A  25
 None
 0.89A 3ag3A-1e0cA:
undetectable
3ag3J-1e0cA:
undetectable		 3ag3A-1e0cA:
20.11
3ag3J-1e0cA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 3ag3A-1floA:
0.2
3ag3J-1floA:
0.0		 3ag3A-1floA:
21.78
3ag3J-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
 0.94A 3ag3A-1gl6A:
0.2
3ag3J-1gl6A:
0.0		 3ag3A-1gl6A:
21.30
3ag3J-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
 0.72A 3ag3A-1harA:
undetectable
3ag3J-1harA:
0.0		 3ag3A-1harA:
18.00
3ag3J-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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ILE A 129
LEU A 181
TYR A 190
LEU A 104
 None
None
None
MLZ  A 105 ( 4.3A)
 0.92A 3ag3A-1iv8A:
0.0
3ag3J-1iv8A:
0.0		 3ag3A-1iv8A:
20.68
3ag3J-1iv8A:
5.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A  48
LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.93A 3ag3A-1jedA:
0.0
3ag3J-1jedA:
undetectable		 3ag3A-1jedA:
21.17
3ag3J-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
 0.79A 3ag3A-1kt8A:
undetectable
3ag3J-1kt8A:
0.0		 3ag3A-1kt8A:
22.71
3ag3J-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
 0.87A 3ag3A-1lrwA:
undetectable
3ag3J-1lrwA:
undetectable		 3ag3A-1lrwA:
21.34
3ag3J-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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 335
LEU A 339
TYR A 310
ARG A 328
THR A 312
 None
None
None
HG  A 614 ( 4.9A)
None
 1.27A 3ag3A-1pm2A:
0.8
3ag3J-1pm2A:
0.0		 3ag3A-1pm2A:
19.19
3ag3J-1pm2A:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ag3A-1qf7A:
0.0
3ag3J-1qf7A:
undetectable		 3ag3A-1qf7A:
21.37
3ag3J-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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A  48
LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.94A 3ag3A-1r6xA:
0.0
3ag3J-1r6xA:
undetectable		 3ag3A-1r6xA:
21.48
3ag3J-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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.85A 3ag3A-1vqtA:
undetectable
3ag3J-1vqtA:
undetectable		 3ag3A-1vqtA:
17.18
3ag3J-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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.94A 3ag3A-1w1kA:
undetectable
3ag3J-1w1kA:
undetectable		 3ag3A-1w1kA:
22.15
3ag3J-1w1kA:
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ILE A 367
LEU A 340
ARG A 305
LEU A 277
 None
 0.92A 3ag3A-1ycgA:
undetectable
3ag3J-1ycgA:
undetectable		 3ag3A-1ycgA:
22.05
3ag3J-1ycgA:
7.81
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 ILE A  67
LEU A  23
THR A  18
LEU A  17
 None
 0.93A 3ag3A-1zypA:
undetectable
3ag3J-1zypA:
undetectable		 3ag3A-1zypA:
16.98
3ag3J-1zypA:
14.85
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.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 LEU A 227
TYR A  72
THR A  77
LEU A  80
 None
 0.75A 3ag3A-2b9bA:
undetectable
3ag3J-2b9bA:
2.9		 3ag3A-2b9bA:
21.63
3ag3J-2b9bA:
9.53
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.94A 3ag3A-2bwgA:
undetectable
3ag3J-2bwgA:
undetectable		 3ag3A-2bwgA:
21.02
3ag3J-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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 ILE A 491
LEU A 488
THR A 457
LEU A 456
 None
 0.96A 3ag3A-2c4mA:
undetectable
3ag3J-2c4mA:
undetectable		 3ag3A-2c4mA:
19.75
3ag3J-2c4mA:
6.41
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.
2eg5 XANTHOSINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		4 ILE A 287
LEU A 363
THR A 292
LEU A 359
 None
 0.96A 3ag3A-2eg5A:
undetectable
3ag3J-2eg5A:
undetectable		 3ag3A-2eg5A:
22.14
3ag3J-2eg5A:
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.
2eu0 TYROSINE-PROTEIN
KINASE ITK/TSK

(Mus musculus) 		PF00017
(SH2) 		4 ILE A  91
LEU A  90
THR A 103
LEU A 101
 None
 0.93A 3ag3A-2eu0A:
undetectable
3ag3J-2eu0A:
undetectable		 3ag3A-2eu0A:
11.27
3ag3J-2eu0A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.77A 3ag3A-2hnzA:
2.5
3ag3J-2hnzA:
undetectable		 3ag3A-2hnzA:
19.77
3ag3J-2hnzA:
6.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 3ag3A-2idcA:
undetectable
3ag3J-2idcA:
undetectable		 3ag3A-2idcA:
13.97
3ag3J-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.
2jnu REGULATOR OF
G-PROTEIN SIGNALING
14

(Homo sapiens) 		PF00615
(RGS) 		4 ILE A 109
LEU A 112
THR A  29
LEU A  32
 None
 0.96A 3ag3A-2jnuA:
undetectable
3ag3J-2jnuA:
undetectable		 3ag3A-2jnuA:
16.82
3ag3J-2jnuA:
14.94
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.
2kbq HARMONIN

(Homo sapiens) 		no annotation 4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.80A 3ag3A-2kbqA:
undetectable
3ag3J-2kbqA:
undetectable		 3ag3A-2kbqA:
8.84
3ag3J-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
 0.78A 3ag3A-2la7A:
undetectable
3ag3J-2la7A:
undetectable		 3ag3A-2la7A:
14.14
3ag3J-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.
2ose PROBABLE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Mimivirus) 		PF00160
(Pro_isomerase) 		5 ILE A  33
LEU A  35
TYR A  76
THR A 146
LEU A 131
 None
 1.41A 3ag3A-2oseA:
undetectable
3ag3J-2oseA:
undetectable		 3ag3A-2oseA:
17.28
3ag3J-2oseA:
16.09
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.78A 3ag3A-2p0dA:
undetectable
3ag3J-2p0dA:
undetectable		 3ag3A-2p0dA:
12.67
3ag3J-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
 0.83A 3ag3A-2p3gX:
undetectable
3ag3J-2p3gX:
undetectable		 3ag3A-2p3gX:
19.81
3ag3J-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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		4 ILE A 689
LEU A 826
THR A 808
LEU A 809
 None
 0.91A 3ag3A-2r6fA:
undetectable
3ag3J-2r6fA:
undetectable		 3ag3A-2r6fA:
19.77
3ag3J-2r6fA:
5.05
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.
2v9p REPLICATION PROTEIN
E1

(Deltapapillomavirus
4) 		PF00519
(PPV_E1_C) 		4 ILE A 503
LEU A 466
ARG A 473
LEU A 518
 None
 0.96A 3ag3A-2v9pA:
undetectable
3ag3J-2v9pA:
undetectable		 3ag3A-2v9pA:
19.27
3ag3J-2v9pA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		4 ILE A 102
MET A 202
THR A 203
LEU A 208
 None
 0.95A 3ag3A-2whkA:
undetectable
3ag3J-2whkA:
undetectable		 3ag3A-2whkA:
21.47
3ag3J-2whkA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.78A 3ag3A-2wy0C:
undetectable
3ag3J-2wy0C:
undetectable		 3ag3A-2wy0C:
21.21
3ag3J-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
 0.88A 3ag3A-2x7jA:
undetectable
3ag3J-2x7jA:
undetectable		 3ag3A-2x7jA:
23.17
3ag3J-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.
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
 0.91A 3ag3A-2xe4A:
undetectable
3ag3J-2xe4A:
undetectable		 3ag3A-2xe4A:
19.95
3ag3J-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.
2xfb E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		4 ILE B 165
ARG B 150
THR B 190
LEU B  98
 None
 0.97A 3ag3A-2xfbB:
undetectable
3ag3J-2xfbB:
undetectable		 3ag3A-2xfbB:
20.65
3ag3J-2xfbB:
12.66
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.
2xfc E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		4 ILE B 165
ARG B 150
THR B 190
LEU B  98
 None
 0.93A 3ag3A-2xfcB:
undetectable
3ag3J-2xfcB:
undetectable		 3ag3A-2xfcB:
20.34
3ag3J-2xfcB:
8.04
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.
2xwb COMPLEMENT C3B
ALPHA' CHAIN

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		4 ILE B 958
LEU B1276
THR B 924
LEU B 925
 None
 0.94A 3ag3A-2xwbB:
3.7
3ag3J-2xwbB:
undetectable		 3ag3A-2xwbB:
20.77
3ag3J-2xwbB:
5.64
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 ILE A  75
LEU A  77
THR A  60
LEU A  59
 None
 0.75A 3ag3A-2y24A:
undetectable
3ag3J-2y24A:
undetectable		 3ag3A-2y24A:
22.63
3ag3J-2y24A:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.50A 3ag3A-2y69J:
undetectable
3ag3J-2y69J:
8.0		 3ag3A-2y69J:
10.31
3ag3J-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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		4 ILE A 164
LEU A 165
THR A 144
LEU A 143
 None
 0.94A 3ag3A-2yvtA:
undetectable
3ag3J-2yvtA:
undetectable		 3ag3A-2yvtA:
18.01
3ag3J-2yvtA:
13.11
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.82A 3ag3A-2ziuA:
undetectable
3ag3J-2ziuA:
undetectable		 3ag3A-2ziuA:
18.55
3ag3J-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
 0.91A 3ag3A-2zsgA:
undetectable
3ag3J-2zsgA:
undetectable		 3ag3A-2zsgA:
20.79
3ag3J-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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 ILE A 352
LEU A 377
THR A 348
LEU A 372
 None
 0.84A 3ag3A-3b2dA:
undetectable
3ag3J-3b2dA:
undetectable		 3ag3A-3b2dA:
20.65
3ag3J-3b2dA:
7.13
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		4 ILE A  66
ARG A 100
THR A  42
LEU A  43
 None
 0.90A 3ag3A-3b4uA:
undetectable
3ag3J-3b4uA:
undetectable		 3ag3A-3b4uA:
20.99
3ag3J-3b4uA:
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.90A 3ag3A-3bn1A:
undetectable
3ag3J-3bn1A:
undetectable		 3ag3A-3bn1A:
21.12
3ag3J-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.
3c9b VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 75

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 ILE A  80
LEU A  62
ARG A  73
LEU A 200
 None
 0.88A 3ag3A-3c9bA:
undetectable
3ag3J-3c9bA:
undetectable		 3ag3A-3c9bA:
16.41
3ag3J-3c9bA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		4 ILE A 129
LEU A 125
THR A 139
LEU A 138
 None
 0.96A 3ag3A-3cf4A:
1.8
3ag3J-3cf4A:
undetectable		 3ag3A-3cf4A:
21.47
3ag3J-3cf4A:
7.13
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.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		4 ILE A 105
LEU A 120
THR A  97
LEU A  96
 None
 0.94A 3ag3A-3dkaA:
2.6
3ag3J-3dkaA:
undetectable		 3ag3A-3dkaA:
13.42
3ag3J-3dkaA:
20.49
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ILE X  25
LEU X  27
ARG X  43
LEU X  37
 None
 0.93A 3ag3A-3du1X:
undetectable
3ag3J-3du1X:
undetectable		 3ag3A-3du1X:
17.83
3ag3J-3du1X:
13.22
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.
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 3ag3A-3e7fA:
undetectable
3ag3J-3e7fA:
undetectable		 3ag3A-3e7fA:
19.65
3ag3J-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.
3ehe UDP-GLUCOSE
4-EPIMERASE (GALE-1)

(Archaeoglobus
fulgidus) 		PF01370
(Epimerase) 		4 ILE A 205
ARG A 164
THR A 126
LEU A 271
 None
 0.95A 3ag3A-3eheA:
undetectable
3ag3J-3eheA:
undetectable		 3ag3A-3eheA:
17.73
3ag3J-3eheA:
10.60
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.
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
 0.90A 3ag3A-3fddA:
undetectable
3ag3J-3fddA:
undetectable		 3ag3A-3fddA:
21.01
3ag3J-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.
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
 0.78A 3ag3A-3fg4A:
1.8
3ag3J-3fg4A:
undetectable		 3ag3A-3fg4A:
20.56
3ag3J-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
 0.92A 3ag3A-3fssA:
undetectable
3ag3J-3fssA:
undetectable		 3ag3A-3fssA:
19.04
3ag3J-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
 0.95A 3ag3A-3gjuA:
undetectable
3ag3J-3gjuA:
undetectable		 3ag3A-3gjuA:
22.26
3ag3J-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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		4 ILE A  84
LEU A 185
THR A 154
LEU A 151
 None
 0.96A 3ag3A-3go4A:
undetectable
3ag3J-3go4A:
undetectable		 3ag3A-3go4A:
21.04
3ag3J-3go4A:
11.96
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.
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
 0.88A 3ag3A-3gzyB:
undetectable
3ag3J-3gzyB:
undetectable		 3ag3A-3gzyB:
15.34
3ag3J-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
 0.74A 3ag3A-3h5tA:
undetectable
3ag3J-3h5tA:
undetectable		 3ag3A-3h5tA:
21.02
3ag3J-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.
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
 0.89A 3ag3A-3hi8A:
undetectable
3ag3J-3hi8A:
undetectable		 3ag3A-3hi8A:
20.53
3ag3J-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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.77A 3ag3A-3hn5A:
undetectable
3ag3J-3hn5A:
undetectable		 3ag3A-3hn5A:
17.12
3ag3J-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.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		4 ILE A  55
LEU A  48
THR A 115
LEU A 114
 None
 0.94A 3ag3A-3hveA:
2.8
3ag3J-3hveA:
undetectable		 3ag3A-3hveA:
17.61
3ag3J-3hveA:
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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.93A 3ag3A-3j4pA:
undetectable
3ag3J-3j4pA:
undetectable		 3ag3A-3j4pA:
22.36
3ag3J-3j4pA:
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.
3jac PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		4 ILE A2403
ARG A2318
THR A2316
LEU A2344
 None
 0.97A 3ag3A-3jacA:
undetectable
3ag3J-3jacA:
1.7		 3ag3A-3jacA:
5.15
3ag3J-3jacA:
7.90
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 ILE X 989
MET X 745
THR X 744
LEU X 743
 None
 0.95A 3ag3A-3jb9X:
undetectable
3ag3J-3jb9X:
undetectable		 3ag3A-3jb9X:
16.83
3ag3J-3jb9X:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.76A 3ag3A-3k13A:
undetectable
3ag3J-3k13A:
undetectable		 3ag3A-3k13A:
20.20
3ag3J-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
 0.86A 3ag3A-3k1rA:
undetectable
3ag3J-3k1rA:
undetectable		 3ag3A-3k1rA:
14.45
3ag3J-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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 ILE A 101
MET A 128
THR A 157
LEU A 156
 None
None
GOL  A 306 (-4.7A)
None
 0.91A 3ag3A-3kl7A:
undetectable
3ag3J-3kl7A:
undetectable		 3ag3A-3kl7A:
16.47
3ag3J-3kl7A:
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.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.91A 3ag3A-3kyjB:
undetectable
3ag3J-3kyjB:
undetectable		 3ag3A-3kyjB:
15.09
3ag3J-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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ILE A 104
LEU A  99
ARG A  83
THR A  86
 None
 0.93A 3ag3A-3l2nA:
undetectable
3ag3J-3l2nA:
undetectable		 3ag3A-3l2nA:
21.32
3ag3J-3l2nA:
9.44
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.
3mop MYELOID
DIFFERENTIATION
PRIMARY RESPONSE
PROTEIN MYD88

(Homo sapiens) 		PF00531
(Death) 		4 ILE A 109
ARG A  88
MET A  19
LEU A  20
 None
 0.95A 3ag3A-3mopA:
undetectable
3ag3J-3mopA:
undetectable		 3ag3A-3mopA:
14.04
3ag3J-3mopA:
22.58
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.
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
 0.72A 3ag3A-3muuA:
undetectable
3ag3J-3muuA:
undetectable		 3ag3A-3muuA:
21.45
3ag3J-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.
3n40 P62 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop)
PF01563
(Alpha_E3_glycop) 		4 ILE P 165
ARG P 150
THR P 190
LEU P  98
 None
 0.94A 3ag3A-3n40P:
undetectable
3ag3J-3n40P:
undetectable		 3ag3A-3n40P:
21.28
3ag3J-3n40P:
11.51
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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.89A 3ag3A-3ng9A:
undetectable
3ag3J-3ng9A:
undetectable		 3ag3A-3ng9A:
21.77
3ag3J-3ng9A:
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.
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
 0.89A 3ag3A-3nwsA:
undetectable
3ag3J-3nwsA:
undetectable		 3ag3A-3nwsA:
15.67
3ag3J-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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.92A 3ag3A-3p8cB:
1.1
3ag3J-3p8cB:
undetectable		 3ag3A-3p8cB:
18.35
3ag3J-3p8cB:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.78A 3ag3A-3pf2A:
undetectable
3ag3J-3pf2A:
undetectable		 3ag3A-3pf2A:
18.65
3ag3J-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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 375
LEU A 250
ARG A 246
LEU A 318
 None
 0.90A 3ag3A-3ra2A:
undetectable
3ag3J-3ra2A:
undetectable		 3ag3A-3ra2A:
23.22
3ag3J-3ra2A:
9.24
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.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  93
LEU A  90
THR A   7
LEU A   6
 None
 0.70A 3ag3A-3rr1A:
undetectable
3ag3J-3rr1A:
undetectable		 3ag3A-3rr1A:
22.10
3ag3J-3rr1A:
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.
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
 0.91A 3ag3A-3se7A:
undetectable
3ag3J-3se7A:
undetectable		 3ag3A-3se7A:
21.97
3ag3J-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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.93A 3ag3A-3shmA:
undetectable
3ag3J-3shmA:
undetectable		 3ag3A-3shmA:
22.63
3ag3J-3shmA:
8.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sto SERINE PROTEASE
INHIBITOR

(Schistosoma
haematobium) 		PF00079
(Serpin) 		4 LEU A  47
MET A 392
THR A 391
LEU A 390
 None
 0.97A 3ag3A-3stoA:
undetectable
3ag3J-3stoA:
undetectable		 3ag3A-3stoA:
20.56
3ag3J-3stoA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ILE A  40
LEU A  60
THR A  35
LEU A  34
 None
 0.96A 3ag3A-3sutA:
undetectable
3ag3J-3sutA:
undetectable		 3ag3A-3sutA:
23.64
3ag3J-3sutA:
8.94
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE A 352
LEU A 377
THR A 348
LEU A 372
 None
 0.87A 3ag3A-3t6qA:
undetectable
3ag3J-3t6qA:
undetectable		 3ag3A-3t6qA:
19.07
3ag3J-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
 0.81A 3ag3A-3u15A:
undetectable
3ag3J-3u15A:
undetectable		 3ag3A-3u15A:
11.22
3ag3J-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.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 ILE A 191
LEU A 186
THR A  23
LEU A  22
 None
 0.87A 3ag3A-3v85A:
undetectable
3ag3J-3v85A:
undetectable		 3ag3A-3v85A:
17.05
3ag3J-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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		4 ILE A  73
LEU A  76
ARG A 341
THR A 178
 None
 0.91A 3ag3A-3vjjA:
0.4
3ag3J-3vjjA:
undetectable		 3ag3A-3vjjA:
20.11
3ag3J-3vjjA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w7b FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Thermus
thermophilus) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		5 ILE A  93
LEU A 105
ARG A  90
MET A 116
LEU A 270
 None
 1.45A 3ag3A-3w7bA:
undetectable
3ag3J-3w7bA:
undetectable		 3ag3A-3w7bA:
18.86
3ag3J-3w7bA:
9.82
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.76A 3ag3A-3wa8A:
undetectable
3ag3J-3wa8A:
undetectable		 3ag3A-3wa8A:
13.36
3ag3J-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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 ILE A 261
LEU A 264
THR A 250
LEU A 249
 None
 0.86A 3ag3A-3wibA:
undetectable
3ag3J-3wibA:
undetectable		 3ag3A-3wibA:
20.31
3ag3J-3wibA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 LEU A 676
ARG A 688
THR A 628
LEU A 627
 None
 0.82A 3ag3A-3zqjA:
undetectable
3ag3J-3zqjA:
undetectable		 3ag3A-3zqjA:
18.59
3ag3J-3zqjA:
4.95
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.34A 3ag3A-3zxsA:
undetectable
3ag3J-3zxsA:
undetectable		 3ag3A-3zxsA:
22.32
3ag3J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 ILE A 193
TYR A 277
THR A 203
LEU A 202
 None
 0.94A 3ag3A-4b4oA:
undetectable
3ag3J-4b4oA:
undetectable		 3ag3A-4b4oA:
22.69
3ag3J-4b4oA:
9.90
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.
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
 0.79A 3ag3A-4b8cD:
undetectable
3ag3J-4b8cD:
undetectable		 3ag3A-4b8cD:
21.05
3ag3J-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.
4f9l 20.1 ANTI-BTN3A1
ANTIBODY FRAGMENT

(Mus musculus) 		no annotation 4 LEU D 142
ARG D 171
THR D 218
LEU D 217
 None
 0.96A 3ag3A-4f9lD:
undetectable
3ag3J-4f9lD:
undetectable		 3ag3A-4f9lD:
18.81
3ag3J-4f9lD:
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		4 ILE A 128
LEU A 150
THR A 124
LEU A 145
 None
 0.88A 3ag3A-4fmzA:
undetectable
3ag3J-4fmzA:
undetectable		 3ag3A-4fmzA:
20.75
3ag3J-4fmzA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A  71
LEU A  95
THR A  67
LEU A  90
 None
 0.96A 3ag3A-4hq1A:
undetectable
3ag3J-4hq1A:
undetectable		 3ag3A-4hq1A:
22.32
3ag3J-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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ILE B 116
LEU B 135
THR B 111
LEU B 109
 None
 0.91A 3ag3A-4htfB:
undetectable
3ag3J-4htfB:
undetectable		 3ag3A-4htfB:
18.97
3ag3J-4htfB:
13.07
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.
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
 0.90A 3ag3A-4i9fA:
undetectable
3ag3J-4i9fA:
undetectable		 3ag3A-4i9fA:
20.93
3ag3J-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
 0.89A 3ag3A-4ia5A:
undetectable
3ag3J-4ia5A:
undetectable		 3ag3A-4ia5A:
21.70
3ag3J-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.
4ikb SORTING NEXIN-11

(Homo sapiens) 		PF00787
(PX) 		4 ILE B  40
LEU B 126
ARG B  59
LEU B  66
 None
None
SO4  B 201 (-3.7A)
None
 0.97A 3ag3A-4ikbB:
undetectable
3ag3J-4ikbB:
undetectable		 3ag3A-4ikbB:
14.82
3ag3J-4ikbB:
18.06