SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYR_W_CHDW1060_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aih HP1 INTEGRASE

(Haemophilus
virus HP1) 		PF00589
(Phage_integrase) 		4 ILE A 239
LEU A 243
THR A 215
LEU A 214
 None
None
SO4  A 109 (-4.1A)
None
 0.98A 2dyrN-1aihA:
undetectable
2dyrW-1aihA:
0.0		 2dyrN-1aihA:
15.90
2dyrW-1aihA:
17.31
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.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		4 ILE A  12
LEU A 231
THR A  59
LEU A  58
 None
 1.00A 2dyrN-1bsfA:
0.0
2dyrW-1bsfA:
0.0		 2dyrN-1bsfA:
18.60
2dyrW-1bsfA:
12.72
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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ARG A 308
MET A 311
THR A 312
LEU A 315
 None
 0.93A 2dyrN-1floA:
0.2
2dyrW-1floA:
0.0		 2dyrN-1floA:
21.78
2dyrW-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
 0.85A 2dyrN-1gl6A:
0.2
2dyrW-1gl6A:
0.0		 2dyrN-1gl6A:
21.30
2dyrW-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
 0.74A 2dyrN-1harA:
undetectable
2dyrW-1harA:
0.0		 2dyrN-1harA:
18.00
2dyrW-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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 ILE A  30
LEU A  27
ARG A 268
LEU A 278
 None
 0.98A 2dyrN-1j0aA:
0.0
2dyrW-1j0aA:
0.0		 2dyrN-1j0aA:
20.99
2dyrW-1j0aA:
12.38
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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 1.00A 2dyrN-1khcA:
undetectable
2dyrW-1khcA:
undetectable		 2dyrN-1khcA:
13.81
2dyrW-1khcA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 2dyrN-1kt8A:
0.0
2dyrW-1kt8A:
0.0		 2dyrN-1kt8A:
22.71
2dyrW-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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A  65
TYR A 148
THR A 166
LEU A 169
 None
 1.02A 2dyrN-1or4A:
0.1
2dyrW-1or4A:
0.0		 2dyrN-1or4A:
14.76
2dyrW-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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.91A 2dyrN-1r6xA:
0.0
2dyrW-1r6xA:
undetectable		 2dyrN-1r6xA:
21.48
2dyrW-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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		4 LEU A 145
ARG A 114
THR A  79
LEU A  80
 None
 0.96A 2dyrN-1sr4A:
undetectable
2dyrW-1sr4A:
undetectable		 2dyrN-1sr4A:
18.06
2dyrW-1sr4A:
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT

(Pseudomonas
fluorescens) 		PF00866
(Ring_hydroxyl_B) 		4 ILE B 165
LEU B  48
ARG B  31
LEU B  36
 None
 0.96A 2dyrN-1wqlB:
undetectable
2dyrW-1wqlB:
undetectable		 2dyrN-1wqlB:
16.39
2dyrW-1wqlB:
12.64
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.
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
 0.85A 2dyrN-1ycgA:
0.0
2dyrW-1ycgA:
undetectable		 2dyrN-1ycgA:
22.05
2dyrW-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.
1zv4 REGULATOR OF
G-PROTEIN SIGNALING
17

(Homo sapiens) 		PF00615
(RGS) 		4 ILE X 178
LEU X 181
ARG X  95
LEU X 102
 None
 0.97A 2dyrN-1zv4X:
undetectable
2dyrW-1zv4X:
undetectable		 2dyrN-1zv4X:
13.67
2dyrW-1zv4X:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.96A 2dyrN-2bwgA:
undetectable
2dyrW-2bwgA:
undetectable		 2dyrN-2bwgA:
21.02
2dyrW-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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 LEU A 128
TYR A 168
MET A 177
LEU A 181
 None
 0.97A 2dyrN-2bx7A:
undetectable
2dyrW-2bx7A:
undetectable		 2dyrN-2bx7A:
19.78
2dyrW-2bx7A:
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.
2idc ANTI-SILENCING
PROTEIN 1 AND
HISTONE H3 CHIMERA

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE A   9
ARG A 108
THR A  43
LEU A  42
 None
 0.90A 2dyrN-2idcA:
undetectable
2dyrW-2idcA:
undetectable		 2dyrN-2idcA:
13.97
2dyrW-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.
2kb3 OXOGLUTARATE
DEHYDROGENASE
INHIBITOR

(Corynebacterium
glutamicum) 		PF00498
(FHA) 		4 ILE A 128
LEU A 135
ARG A  93
THR A  69
 None
 0.99A 2dyrN-2kb3A:
undetectable
2dyrW-2kb3A:
undetectable		 2dyrN-2kb3A:
14.43
2dyrW-2kb3A:
16.78
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.80A 2dyrN-2la7A:
undetectable
2dyrW-2la7A:
undetectable		 2dyrN-2la7A:
14.14
2dyrW-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.
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 2dyrN-2p0dA:
undetectable
2dyrW-2p0dA:
undetectable		 2dyrN-2p0dA:
12.67
2dyrW-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
 0.86A 2dyrN-2p3gX:
undetectable
2dyrW-2p3gX:
undetectable		 2dyrN-2p3gX:
19.81
2dyrW-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.
2q24 PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 ILE A 146
ARG A 151
MET A 155
LEU A 133
 None
 1.00A 2dyrN-2q24A:
undetectable
2dyrW-2q24A:
undetectable		 2dyrN-2q24A:
17.09
2dyrW-2q24A:
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		4 LEU A 186
TYR A 101
THR A  98
LEU A 176
 None
 0.98A 2dyrN-2wokA:
3.3
2dyrW-2wokA:
undetectable		 2dyrN-2wokA:
21.99
2dyrW-2wokA:
7.55
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.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.77A 2dyrN-2wy0C:
undetectable
2dyrW-2wy0C:
undetectable		 2dyrN-2wy0C:
21.21
2dyrW-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.
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
 0.29A 2dyrN-2y69J:
undetectable
2dyrW-2y69J:
8.0		 2dyrN-2y69J:
10.31
2dyrW-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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 428
ARG B 441
THR B 436
LEU B 435
 None
 0.98A 2dyrN-2z7xB:
undetectable
2dyrW-2z7xB:
undetectable		 2dyrN-2z7xB:
23.01
2dyrW-2z7xB:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.76A 2dyrN-2ziuA:
undetectable
2dyrW-2ziuA:
undetectable		 2dyrN-2ziuA:
18.55
2dyrW-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
 0.93A 2dyrN-2zsgA:
undetectable
2dyrW-2zsgA:
undetectable		 2dyrN-2zsgA:
20.79
2dyrW-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
 0.98A 2dyrN-3a24A:
undetectable
2dyrW-3a24A:
undetectable		 2dyrN-3a24A:
22.34
2dyrW-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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.89A 2dyrN-3bn1A:
undetectable
2dyrW-3bn1A:
undetectable		 2dyrN-3bn1A:
21.12
2dyrW-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.
3ck6 PUTATIVE MEMBRANE
TRANSPORT PROTEIN

(Vibrio
parahaemolyticus) 		PF01544
(CorA) 		4 ILE A  97
LEU A  76
ARG A 108
LEU A 142
 None
None
CL  A 250 (-4.4A)
CL  A 252 (-4.7A)
 0.99A 2dyrN-3ck6A:
1.1
2dyrW-3ck6A:
undetectable		 2dyrN-3ck6A:
17.82
2dyrW-3ck6A:
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ILE X  25
LEU X  27
ARG X  43
LEU X  37
 None
 0.94A 2dyrN-3du1X:
undetectable
2dyrW-3du1X:
undetectable		 2dyrN-3du1X:
17.83
2dyrW-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
 0.83A 2dyrN-3e7fA:
undetectable
2dyrW-3e7fA:
undetectable		 2dyrN-3e7fA:
19.65
2dyrW-3e7fA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		4 ILE A 475
LEU A 483
ARG A 516
LEU A 423
 None
 0.82A 2dyrN-3fddA:
undetectable
2dyrW-3fddA:
undetectable		 2dyrN-3fddA:
21.01
2dyrW-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.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Listeria
innocua) 		PF00155
(Aminotran_1_2) 		4 ILE A 307
LEU A 309
ARG A 328
LEU A 320
 None
None
SO4  A 363 (-2.6A)
None
 0.98A 2dyrN-3ffhA:
undetectable
2dyrW-3ffhA:
undetectable		 2dyrN-3ffhA:
20.95
2dyrW-3ffhA:
10.25
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.
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
 0.84A 2dyrN-3fg4A:
undetectable
2dyrW-3fg4A:
undetectable		 2dyrN-3fg4A:
20.56
2dyrW-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
 0.93A 2dyrN-3fssA:
undetectable
2dyrW-3fssA:
undetectable		 2dyrN-3fssA:
19.04
2dyrW-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.
3gf6 UNCHARACTERIZED
BACTERIAL
LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12956
(DUF3845) 		5 LEU A 216
TYR A  68
MET A 105
THR A 104
LEU A 103
 None
 1.48A 2dyrN-3gf6A:
undetectable
2dyrW-3gf6A:
undetectable		 2dyrN-3gf6A:
19.49
2dyrW-3gf6A:
16.04
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.90A 2dyrN-3gjuA:
undetectable
2dyrW-3gjuA:
undetectable		 2dyrN-3gjuA:
22.26
2dyrW-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.
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
 0.82A 2dyrN-3gzyB:
undetectable
2dyrW-3gzyB:
undetectable		 2dyrN-3gzyB:
15.34
2dyrW-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.
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
 0.81A 2dyrN-3hi8A:
undetectable
2dyrW-3hi8A:
undetectable		 2dyrN-3hi8A:
20.53
2dyrW-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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.87A 2dyrN-3j4pA:
undetectable
2dyrW-3j4pA:
undetectable		 2dyrN-3j4pA:
22.36
2dyrW-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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 ILE A 343
LEU A 346
ARG A 322
LEU A 248
 None
 0.94A 2dyrN-3jzdA:
2.2
2dyrW-3jzdA:
undetectable		 2dyrN-3jzdA:
22.15
2dyrW-3jzdA:
14.68
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.
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 2dyrN-3k13A:
undetectable
2dyrW-3k13A:
undetectable		 2dyrN-3k13A:
20.20
2dyrW-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
 0.87A 2dyrN-3kyjB:
undetectable
2dyrW-3kyjB:
undetectable		 2dyrN-3kyjB:
15.09
2dyrW-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.
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
 0.76A 2dyrN-3muuA:
undetectable
2dyrW-3muuA:
undetectable		 2dyrN-3muuA:
21.45
2dyrW-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.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 ILE X 209
ARG X 102
THR X 144
LEU X 145
 None
 1.00A 2dyrN-3n5nX:
undetectable
2dyrW-3n5nX:
undetectable		 2dyrN-3n5nX:
18.74
2dyrW-3n5nX:
12.89
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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.87A 2dyrN-3ng9A:
undetectable
2dyrW-3ng9A:
undetectable		 2dyrN-3ng9A:
21.77
2dyrW-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
 0.85A 2dyrN-3nwsA:
undetectable
2dyrW-3nwsA:
undetectable		 2dyrN-3nwsA:
15.67
2dyrW-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.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 239
TYR A 175
ARG A 174
LEU A 167
 None
None
None
NAD  A 701 (-4.3A)
 0.89A 2dyrN-3om9A:
undetectable
2dyrW-3om9A:
undetectable		 2dyrN-3om9A:
20.12
2dyrW-3om9A:
11.11
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.91A 2dyrN-3p8cB:
1.4
2dyrW-3p8cB:
undetectable		 2dyrN-3p8cB:
18.35
2dyrW-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
 0.73A 2dyrN-3pf2A:
undetectable
2dyrW-3pf2A:
undetectable		 2dyrN-3pf2A:
18.65
2dyrW-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
 0.85A 2dyrN-3ra2A:
undetectable
2dyrW-3ra2A:
undetectable		 2dyrN-3ra2A:
23.22
2dyrW-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.
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
 0.91A 2dyrN-3shmA:
undetectable
2dyrW-3shmA:
undetectable		 2dyrN-3shmA:
22.63
2dyrW-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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.81A 2dyrN-3u15A:
undetectable
2dyrW-3u15A:
undetectable		 2dyrN-3u15A:
11.22
2dyrW-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
 0.94A 2dyrN-3v85A:
undetectable
2dyrW-3v85A:
undetectable		 2dyrN-3v85A:
17.05
2dyrW-3v85A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wa8 CRISPR-ASSOCIATED
PROTEIN, CSE2 FAMILY

(Meiothermus
ruber) 		PF09485
(CRISPR_Cse2) 		4 LEU A  68
ARG A 164
THR A 105
LEU A 106
 None
 0.77A 2dyrN-3wa8A:
undetectable
2dyrW-3wa8A:
undetectable		 2dyrN-3wa8A:
13.36
2dyrW-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.
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
 0.83A 2dyrN-4b8cD:
undetectable
2dyrW-4b8cD:
undetectable		 2dyrN-4b8cD:
21.05
2dyrW-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
 0.95A 2dyrN-4f9lD:
undetectable
2dyrW-4f9lD:
undetectable		 2dyrN-4f9lD:
18.81
2dyrW-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.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ILE A 285
ARG A 276
THR A 274
LEU A 273
 None
 0.97A 2dyrN-4gfjA:
1.2
2dyrW-4gfjA:
undetectable		 2dyrN-4gfjA:
20.06
2dyrW-4gfjA:
5.76
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.
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
 0.88A 2dyrN-4i9fA:
undetectable
2dyrW-4i9fA:
undetectable		 2dyrN-4i9fA:
20.93
2dyrW-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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 LEU A 675
ARG A 693
THR A 697
LEU A 700
 None
 1.00A 2dyrN-4ifqA:
3.5
2dyrW-4ifqA:
undetectable		 2dyrN-4ifqA:
17.79
2dyrW-4ifqA:
4.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		4 ILE B 523
LEU B 532
MET B 368
LEU B 372
 None
 1.01A 2dyrN-4j7bB:
undetectable
2dyrW-4j7bB:
undetectable		 2dyrN-4j7bB:
17.32
2dyrW-4j7bB:
13.51
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		4 LEU A 275
ARG A 303
MET A 307
LEU A 308
 None
 0.89A 2dyrN-4kemA:
undetectable
2dyrW-4kemA:
undetectable		 2dyrN-4kemA:
21.75
2dyrW-4kemA:
9.57
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 662
LEU A 683
THR A 674
LEU A 672
 None
 0.66A 2dyrN-4om9A:
undetectable
2dyrW-4om9A:
undetectable		 2dyrN-4om9A:
19.71
2dyrW-4om9A:
5.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.84A 2dyrN-4oqfA:
undetectable
2dyrW-4oqfA:
undetectable		 2dyrN-4oqfA:
20.15
2dyrW-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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		4 ILE A  31
LEU A  58
THR A 245
LEU A 244
 None
 0.99A 2dyrN-4oteA:
undetectable
2dyrW-4oteA:
undetectable		 2dyrN-4oteA:
17.12
2dyrW-4oteA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU A1119
MET A 820
THR A 819
LEU A 818
 None
 0.93A 2dyrN-4pj3A:
undetectable
2dyrW-4pj3A:
undetectable		 2dyrN-4pj3A:
15.67
2dyrW-4pj3A:
6.22
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ILE A 189
LEU A  98
ARG A 363
LEU A 386
 None
 1.00A 2dyrN-4qbuA:
2.0
2dyrW-4qbuA:
undetectable		 2dyrN-4qbuA:
20.36
2dyrW-4qbuA:
10.05
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ILE A 301
LEU A 296
ARG A 229
LEU A 221
 None
 0.98A 2dyrN-4r85A:
undetectable
2dyrW-4r85A:
undetectable		 2dyrN-4r85A:
22.06
2dyrW-4r85A:
10.42
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.
4rq9 PHOTORECEPTOR-HISTID
INE KINASE BPHP

(Stigmatella
aurantiaca) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 123
ARG A 118
THR A  46
LEU A  45
 None
 0.96A 2dyrN-4rq9A:
undetectable
2dyrW-4rq9A:
undetectable		 2dyrN-4rq9A:
18.92
2dyrW-4rq9A:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.71A 2dyrN-4rrpM:
undetectable
2dyrW-4rrpM:
undetectable		 2dyrN-4rrpM:
13.87
2dyrW-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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.94A 2dyrN-4rwtC:
undetectable
2dyrW-4rwtC:
undetectable		 2dyrN-4rwtC:
19.44
2dyrW-4rwtC:
9.30
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 0.99A 2dyrN-4ww3A:
0.4
2dyrW-4ww3A:
undetectable		 2dyrN-4ww3A:
20.70
2dyrW-4ww3A:
9.41
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ILE A 181
TYR A 169
MET A 166
LEU A 129
 None
 1.00A 2dyrN-4wzhA:
undetectable
2dyrW-4wzhA:
undetectable		 2dyrN-4wzhA:
21.76
2dyrW-4wzhA:
11.37
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.
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
 1.01A 2dyrN-4xkqA:
0.5
2dyrW-4xkqA:
undetectable		 2dyrN-4xkqA:
20.93
2dyrW-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.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 0.94A 2dyrN-4yk6A:
undetectable
2dyrW-4yk6A:
undetectable		 2dyrN-4yk6A:
18.86
2dyrW-4yk6A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.41A 2dyrN-4zi6A:
undetectable
2dyrW-4zi6A:
undetectable		 2dyrN-4zi6A:
22.57
2dyrW-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.
5aeo R. EQUI VAPG PROTEIN

(Rhodococcus
hoagii) 		PF05526
(R_equi_Vir) 		4 ILE A 132
LEU A 112
THR A  61
LEU A  60
 None
 0.77A 2dyrN-5aeoA:
undetectable
2dyrW-5aeoA:
undetectable		 2dyrN-5aeoA:
15.81
2dyrW-5aeoA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 ILE C  76
LEU C  81
THR C   3
LEU C   2
 None
 1.02A 2dyrN-5b57C:
undetectable
2dyrW-5b57C:
undetectable		 2dyrN-5b57C:
20.78
2dyrW-5b57C:
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 LEU A 356
ARG A 505
THR A 468
LEU A 469
 None
 1.00A 2dyrN-5cxwA:
undetectable
2dyrW-5cxwA:
undetectable		 2dyrN-5cxwA:
23.22
2dyrW-5cxwA:
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		4 ILE A  48
TYR A  53
MET A  24
THR A  23
 None
 1.00A 2dyrN-5gk2A:
undetectable
2dyrW-5gk2A:
undetectable		 2dyrN-5gk2A:
19.85
2dyrW-5gk2A:
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ILE A 305
LEU A 493
ARG A 298
LEU A 377
 None
 0.97A 2dyrN-5h2tA:
undetectable
2dyrW-5h2tA:
undetectable		 2dyrN-5h2tA:
20.56
2dyrW-5h2tA:
6.44
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.
5i2q EF-HAND
DOMAIN-CONTAINING
PROTEIN D2

(Homo sapiens) 		PF13405
(EF-hand_6) 		4 ILE A 156
LEU A 171
MET A 121
LEU A 117
 None
 0.82A 2dyrN-5i2qA:
undetectable
2dyrW-5i2qA:
undetectable		 2dyrN-5i2qA:
11.61
2dyrW-5i2qA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		4 ILE A 253
LEU A 250
ARG A 197
LEU A 165
 None
 0.82A 2dyrN-5idiA:
undetectable
2dyrW-5idiA:
undetectable		 2dyrN-5idiA:
21.38
2dyrW-5idiA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE TRIM56

(Homo sapiens) 		PF13445
(zf-RING_UBOX) 		4 ILE B  23
LEU B  48
THR B  33
LEU B  34
 None
 0.76A 2dyrN-5jw7B:
undetectable
2dyrW-5jw7B:
undetectable		 2dyrN-5jw7B:
10.76
2dyrW-5jw7B:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 ILE A 703
LEU A 700
THR A  82
LEU A  81
 None
 0.83A 2dyrN-5jwfA:
0.8
2dyrW-5jwfA:
undetectable		 2dyrN-5jwfA:
20.60
2dyrW-5jwfA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 ILE A 155
LEU A 158
THR A 370
LEU A 175
 None
 0.81A 2dyrN-5mqmA:
undetectable
2dyrW-5mqmA:
undetectable		 2dyrN-5mqmA:
19.15
2dyrW-5mqmA:
4.20
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.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 4 ILE A 532
LEU A 541
MET A 377
LEU A 381
 None
 1.02A 2dyrN-5nfuA:
undetectable
2dyrW-5nfuA:
undetectable		 2dyrN-5nfuA:
undetectable
2dyrW-5nfuA:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 LEU A 163
ARG A 149
MET A 604
LEU A 600
 None
 0.89A 2dyrN-5nqdA:
undetectable
2dyrW-5nqdA:
undetectable		 2dyrN-5nqdA:
undetectable
2dyrW-5nqdA:
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
 0.78A 2dyrN-5ny0A:
undetectable
2dyrW-5ny0A:
undetectable		 2dyrN-5ny0A:
undetectable
2dyrW-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
 0.91A 2dyrN-5td2A:
2.4
2dyrW-5td2A:
undetectable		 2dyrN-5td2A:
20.72
2dyrW-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.
5vob ENVELOPE
GLYCOPROTEIN UL128

(Human
betaherpesvirus
5) 		no annotation 4 ILE C 109
LEU C 103
THR C  85
LEU C  84
 None
 0.90A 2dyrN-5vobC:
undetectable
2dyrW-5vobC:
undetectable		 2dyrN-5vobC:
14.92
2dyrW-5vobC:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 ILE A 361
LEU A 367
TYR A 414
THR A 384
 None
 1.02A 2dyrN-5wp5A:
undetectable
2dyrW-5wp5A:
undetectable		 2dyrN-5wp5A:
20.45
2dyrW-5wp5A:
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 243
TYR A  76
ARG A  78
LEU A 591
 None
 0.89A 2dyrN-5wugA:
undetectable
2dyrW-5wugA:
undetectable		 2dyrN-5wugA:
undetectable
2dyrW-5wugA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 ILE F 201
LEU F 221
THR F 278
LEU F 271
 None
 0.77A 2dyrN-5xagF:
undetectable
2dyrW-5xagF:
undetectable		 2dyrN-5xagF:
undetectable
2dyrW-5xagF:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 LEU A 538
ARG A 511
THR A 505
LEU A 550
 None
 0.95A 2dyrN-5xfaA:
1.9
2dyrW-5xfaA:
undetectable		 2dyrN-5xfaA:
22.80
2dyrW-5xfaA:
6.90
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.
5yks SNF-RELATED
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		no annotation 4 ILE A 204
LEU A 201
THR A 157
LEU A 156
 None
 0.86A 2dyrN-5yksA:
undetectable
2dyrW-5yksA:
undetectable		 2dyrN-5yksA:
19.85
2dyrW-5yksA:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20

(Homo sapiens) 		no annotation 4 LEU A   7
ARG A  80
THR A  73
LEU A  72
 None
 0.95A 2dyrN-5z4iA:
undetectable
2dyrW-5z4iA:
undetectable		 2dyrN-5z4iA:
undetectable
2dyrW-5z4iA:
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.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.84A 2dyrN-6gsaD:
undetectable
2dyrW-6gsaD:
undetectable		 2dyrN-6gsaD:
undetectable
2dyrW-6gsaD:
undetectable