SIMILAR PATTERNS OF AMINO ACIDS FOR 5IY5_J_CHDJ101

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.
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
 0.73A 5iy5A-1harA:
undetectable
5iy5J-1harA:
0.1		 5iy5A-1harA:
18.00
5iy5J-1harA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 ILE A  30
LEU A  27
ARG A 268
LEU A 278
 None
 0.99A 5iy5A-1j0aA:
0.0
5iy5J-1j0aA:
0.0		 5iy5A-1j0aA:
20.99
5iy5J-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.
1jed 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 5iy5A-1jedA:
0.0
5iy5J-1jedA:
0.0		 5iy5A-1jedA:
21.17
5iy5J-1jedA:
8.28
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.
1jfi TRANSCRIPTION
REGULATOR NC2 ALPHA
CHAIN
TRANSCRIPTION
REGULATOR NC2 BETA
CHAIN

(Homo sapiens;
Homo sapiens) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		4 ILE B 122
LEU B 126
THR A  67
LEU A  70
 None
 0.99A 5iy5A-1jfiB:
undetectable
5iy5J-1jfiB:
1.7		 5iy5A-1jfiB:
14.49
5iy5J-1jfiB:
12.85
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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.93A 5iy5A-1khcA:
undetectable
5iy5J-1khcA:
0.0		 5iy5A-1khcA:
13.81
5iy5J-1khcA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 5iy5A-1kt8A:
0.0
5iy5J-1kt8A:
0.0		 5iy5A-1kt8A:
22.71
5iy5J-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.
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
 0.92A 5iy5A-1r6xA:
0.0
5iy5J-1r6xA:
0.0		 5iy5A-1r6xA:
21.48
5iy5J-1r6xA:
11.52
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		4 LEU A 145
ARG A 114
THR A  79
LEU A  80
 None
 0.92A 5iy5A-1sr4A:
undetectable
5iy5J-1sr4A:
undetectable		 5iy5A-1sr4A:
18.06
5iy5J-1sr4A:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.80A 5iy5A-1vqtA:
0.0
5iy5J-1vqtA:
undetectable		 5iy5A-1vqtA:
17.18
5iy5J-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.
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
 0.93A 5iy5A-1wqlB:
undetectable
5iy5J-1wqlB:
undetectable		 5iy5A-1wqlB:
16.39
5iy5J-1wqlB:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 ILE A  48
LEU A 144
THR A 148
LEU A 211
 None
 0.97A 5iy5A-1yw6A:
0.0
5iy5J-1yw6A:
undetectable		 5iy5A-1yw6A:
20.62
5iy5J-1yw6A:
11.76
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.
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
 0.90A 5iy5A-1zv4X:
1.4
5iy5J-1zv4X:
undetectable		 5iy5A-1zv4X:
13.67
5iy5J-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
 0.89A 5iy5A-2bwgA:
0.0
5iy5J-2bwgA:
undetectable		 5iy5A-2bwgA:
21.02
5iy5J-2bwgA:
10.19
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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		4 ILE A 153
LEU A 166
THR A  41
LEU A  44
 None
 0.99A 5iy5A-2cqzA:
0.3
5iy5J-2cqzA:
undetectable		 5iy5A-2cqzA:
14.56
5iy5J-2cqzA:
13.48
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.
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
 0.88A 5iy5A-2idcA:
undetectable
5iy5J-2idcA:
undetectable		 5iy5A-2idcA:
13.97
5iy5J-2idcA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 LEU A  89
ARG A  28
THR A  31
LEU A  33
 None
 0.94A 5iy5A-2j3zA:
undetectable
5iy5J-2j3zA:
undetectable		 5iy5A-2j3zA:
19.36
5iy5J-2j3zA:
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.
2kbq HARMONIN

(Homo sapiens) 		no annotation 4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.79A 5iy5A-2kbqA:
undetectable
5iy5J-2kbqA:
undetectable		 5iy5A-2kbqA:
8.84
5iy5J-2kbqA:
24.00
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.86A 5iy5A-2la7A:
undetectable
5iy5J-2la7A:
undetectable		 5iy5A-2la7A:
14.14
5iy5J-2la7A:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 ILE A  25
LEU A  22
ARG A  54
LEU A  99
 None
 0.97A 5iy5A-2ozgA:
undetectable
5iy5J-2ozgA:
undetectable		 5iy5A-2ozgA:
21.72
5iy5J-2ozgA:
9.66
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.74A 5iy5A-2p0dA:
undetectable
5iy5J-2p0dA:
undetectable		 5iy5A-2p0dA:
12.67
5iy5J-2p0dA:
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.
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
 0.80A 5iy5A-2p3gX:
undetectable
5iy5J-2p3gX:
undetectable		 5iy5A-2p3gX:
19.81
5iy5J-2p3gX:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 LEU B 272
MET B 346
THR B 345
LEU B 358
 None
 0.96A 5iy5A-2uw1B:
1.0
5iy5J-2uw1B:
undetectable		 5iy5A-2uw1B:
20.56
5iy5J-2uw1B:
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.
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
 0.99A 5iy5A-2wokA:
3.2
5iy5J-2wokA:
undetectable		 5iy5A-2wokA:
21.99
5iy5J-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.
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
 0.55A 5iy5A-2y69J:
undetectable
5iy5J-2y69J:
7.9		 5iy5A-2y69J:
10.31
5iy5J-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
 0.95A 5iy5A-2z7xB:
undetectable
5iy5J-2z7xB:
undetectable		 5iy5A-2z7xB:
23.01
5iy5J-2z7xB:
7.42
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.
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
 0.91A 5iy5A-3a24A:
undetectable
5iy5J-3a24A:
undetectable		 5iy5A-3a24A:
22.34
5iy5J-3a24A:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.92A 5iy5A-3bn1A:
undetectable
5iy5J-3bn1A:
undetectable		 5iy5A-3bn1A:
21.12
5iy5J-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
 0.78A 5iy5A-3c9bA:
undetectable
5iy5J-3c9bA:
undetectable		 5iy5A-3c9bA:
16.41
5iy5J-3c9bA:
13.13
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ILE X  25
LEU X  27
ARG X  43
LEU X  37
 None
 0.95A 5iy5A-3du1X:
undetectable
5iy5J-3du1X:
undetectable		 5iy5A-3du1X:
17.83
5iy5J-3du1X:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dy5 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
 0.94A 5iy5A-3dy5A:
undetectable
5iy5J-3dy5A:
undetectable		 5iy5A-3dy5A:
17.95
5iy5J-3dy5A:
4.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		4 ILE A 230
LEU A 231
THR A 219
LEU A 255
 None
 0.85A 5iy5A-3e7fA:
undetectable
5iy5J-3e7fA:
undetectable		 5iy5A-3e7fA:
19.65
5iy5J-3e7fA:
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.
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
 0.86A 5iy5A-3fddA:
undetectable
5iy5J-3fddA:
undetectable		 5iy5A-3fddA:
21.01
5iy5J-3fddA:
8.67
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.
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
 0.99A 5iy5A-3ffhA:
undetectable
5iy5J-3ffhA:
undetectable		 5iy5A-3ffhA:
20.95
5iy5J-3ffhA:
9.97
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.
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 5iy5A-3fg4A:
undetectable
5iy5J-3fg4A:
undetectable		 5iy5A-3fg4A:
20.56
5iy5J-3fg4A:
8.14
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 ILE A 200
MET A 158
THR A 159
LEU A 160
 None
 0.92A 5iy5A-3fssA:
undetectable
5iy5J-3fssA:
undetectable		 5iy5A-3fssA:
19.04
5iy5J-3fssA:
13.50
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.
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
 1.47A 5iy5A-3gf6A:
undetectable
5iy5J-3gf6A:
undetectable		 5iy5A-3gf6A:
19.49
5iy5J-3gf6A:
15.57
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.89A 5iy5A-3gjuA:
undetectable
5iy5J-3gjuA:
undetectable		 5iy5A-3gjuA:
22.26
5iy5J-3gjuA:
8.11
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.
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
 0.79A 5iy5A-3gzyB:
undetectable
5iy5J-3gzyB:
undetectable		 5iy5A-3gzyB:
15.34
5iy5J-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
 0.82A 5iy5A-3hi8A:
undetectable
5iy5J-3hi8A:
undetectable		 5iy5A-3hi8A:
20.53
5iy5J-3hi8A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.82A 5iy5A-3j4pA:
undetectable
5iy5J-3j4pA:
undetectable		 5iy5A-3j4pA:
22.36
5iy5J-3j4pA:
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 ILE A 343
LEU A 346
ARG A 322
LEU A 248
 None
 0.90A 5iy5A-3jzdA:
2.3
5iy5J-3jzdA:
undetectable		 5iy5A-3jzdA:
22.15
5iy5J-3jzdA:
14.74
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.
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
 0.64A 5iy5A-3k13A:
undetectable
5iy5J-3k13A:
undetectable		 5iy5A-3k13A:
20.20
5iy5J-3k13A:
11.50
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.
3k1r HARMONIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.85A 5iy5A-3k1rA:
undetectable
5iy5J-3k1rA:
undetectable		 5iy5A-3k1rA:
14.45
5iy5J-3k1rA:
16.23
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.
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
 0.77A 5iy5A-3muuA:
undetectable
5iy5J-3muuA:
undetectable		 5iy5A-3muuA:
21.45
5iy5J-3muuA:
6.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5iy5A-3n5nX:
undetectable
5iy5J-3n5nX:
undetectable		 5iy5A-3n5nX:
18.74
5iy5J-3n5nX:
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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.84A 5iy5A-3ng9A:
undetectable
5iy5J-3ng9A:
undetectable		 5iy5A-3ng9A:
21.77
5iy5J-3ng9A:
7.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.90A 5iy5A-3om9A:
undetectable
5iy5J-3om9A:
undetectable		 5iy5A-3om9A:
20.12
5iy5J-3om9A:
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.81A 5iy5A-3p8cB:
1.6
5iy5J-3p8cB:
undetectable		 5iy5A-3p8cB:
18.35
5iy5J-3p8cB:
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.
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
 0.77A 5iy5A-3pf2A:
undetectable
5iy5J-3pf2A:
undetectable		 5iy5A-3pf2A:
18.65
5iy5J-3pf2A:
12.68
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.
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
 0.71A 5iy5A-3rr1A:
undetectable
5iy5J-3rr1A:
undetectable		 5iy5A-3rr1A:
22.10
5iy5J-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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.89A 5iy5A-3u15A:
undetectable
5iy5J-3u15A:
undetectable		 5iy5A-3u15A:
11.22
5iy5J-3u15A:
26.74
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.95A 5iy5A-3ux1A:
undetectable
5iy5J-3ux1A:
undetectable		 5iy5A-3ux1A:
22.87
5iy5J-3ux1A:
9.69
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.88A 5iy5A-3v85A:
undetectable
5iy5J-3v85A:
undetectable		 5iy5A-3v85A:
17.05
5iy5J-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
 0.82A 5iy5A-3wa8A:
undetectable
5iy5J-3wa8A:
undetectable		 5iy5A-3wa8A:
13.36
5iy5J-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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ILE A 318
LEU A 506
ARG A 311
LEU A 390
 None
 1.00A 5iy5A-3zo9A:
undetectable
5iy5J-3zo9A:
undetectable		 5iy5A-3zo9A:
21.46
5iy5J-3zo9A:
7.47
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.
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 5iy5A-4b8cD:
undetectable
5iy5J-4b8cD:
undetectable		 5iy5A-4b8cD:
21.05
5iy5J-4b8cD:
6.59
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.
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
 0.93A 5iy5A-4f9lD:
undetectable
5iy5J-4f9lD:
undetectable		 5iy5A-4f9lD:
18.81
5iy5J-4f9lD:
11.72
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.
4hk1 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Drosophila
melanogaster) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A  11
ARG A  53
THR A  51
LEU A  50
 None
 0.96A 5iy5A-4hk1A:
undetectable
5iy5J-4hk1A:
undetectable		 5iy5A-4hk1A:
19.03
5iy5J-4hk1A:
12.65
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ILE B 116
LEU B 135
THR B 111
LEU B 109
 None
 0.93A 5iy5A-4htfB:
undetectable
5iy5J-4htfB:
undetectable		 5iy5A-4htfB:
18.97
5iy5J-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
 0.93A 5iy5A-4i9fA:
undetectable
5iy5J-4i9fA:
undetectable		 5iy5A-4i9fA:
20.93
5iy5J-4i9fA:
11.31
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ILE A 410
LEU A 438
MET A 458
LEU A 351
 None
 0.88A 5iy5A-4ia5A:
undetectable
5iy5J-4ia5A:
undetectable		 5iy5A-4ia5A:
21.70
5iy5J-4ia5A:
7.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 296
MET A 301
THR A 302
LEU A 305
 None
 0.94A 5iy5A-4k3bA:
undetectable
5iy5J-4k3bA:
undetectable		 5iy5A-4k3bA:
19.36
5iy5J-4k3bA:
5.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 5iy5A-4kemA:
undetectable
5iy5J-4kemA:
undetectable		 5iy5A-4kemA:
21.75
5iy5J-4kemA:
10.09
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ILE A 100
LEU A  26
ARG A   8
LEU A  14
 None
 0.98A 5iy5A-4mjdA:
undetectable
5iy5J-4mjdA:
undetectable		 5iy5A-4mjdA:
12.00
5iy5J-4mjdA:
18.58
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 662
LEU A 683
THR A 674
LEU A 672
 None
 0.72A 5iy5A-4om9A:
undetectable
5iy5J-4om9A:
undetectable		 5iy5A-4om9A:
19.71
5iy5J-4om9A:
5.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.80A 5iy5A-4oqfA:
undetectable
5iy5J-4oqfA:
undetectable		 5iy5A-4oqfA:
20.15
5iy5J-4oqfA:
11.80
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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		4 ILE A  31
LEU A  58
THR A 245
LEU A 244
 None
 0.96A 5iy5A-4oteA:
undetectable
5iy5J-4oteA:
undetectable		 5iy5A-4oteA:
17.12
5iy5J-4oteA:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5iy5A-4pj3A:
undetectable
5iy5J-4pj3A:
undetectable		 5iy5A-4pj3A:
15.67
5iy5J-4pj3A:
2.99
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.
4q5y MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		4 ILE A2428
MET A2376
THR A2377
LEU A2380
 None
 0.99A 5iy5A-4q5yA:
undetectable
5iy5J-4q5yA:
undetectable		 5iy5A-4q5yA:
20.42
5iy5J-4q5yA:
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ILE A 189
LEU A  98
ARG A 363
LEU A 386
 None
 0.93A 5iy5A-4qbuA:
undetectable
5iy5J-4qbuA:
undetectable		 5iy5A-4qbuA:
20.36
5iy5J-4qbuA:
10.26
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ILE A 301
LEU A 296
ARG A 229
LEU A 221
 None
 0.99A 5iy5A-4r85A:
undetectable
5iy5J-4r85A:
undetectable		 5iy5A-4r85A:
22.06
5iy5J-4r85A:
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.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.75A 5iy5A-4rrpM:
undetectable
5iy5J-4rrpM:
undetectable		 5iy5A-4rrpM:
13.87
5iy5J-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
 0.85A 5iy5A-4rwtC:
undetectable
5iy5J-4rwtC:
undetectable		 5iy5A-4rwtC:
19.44
5iy5J-4rwtC:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.99A 5iy5A-4wzhA:
undetectable
5iy5J-4wzhA:
undetectable		 5iy5A-4wzhA:
21.76
5iy5J-4wzhA:
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ILE A 259
MET A 368
THR A 367
LEU A 319
 None
 0.99A 5iy5A-4xkqA:
0.4
5iy5J-4xkqA:
undetectable		 5iy5A-4xkqA:
20.93
5iy5J-4xkqA:
9.11
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.
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
 0.95A 5iy5A-4yk6A:
undetectable
5iy5J-4yk6A:
undetectable		 5iy5A-4yk6A:
18.86
5iy5J-4yk6A:
14.29
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.
5aeu BIPHENYL DIOXYGENASE
SUBUNIT BETA

(Paraburkholderia
xenovorans) 		PF00866
(Ring_hydroxyl_B) 		4 ILE B 167
LEU B  50
ARG B  33
LEU B  38
 None
 0.87A 5iy5A-5aeuB:
undetectable
5iy5J-5aeuB:
undetectable		 5iy5A-5aeuB:
15.05
5iy5J-5aeuB:
18.82
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.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		4 ILE A 149
ARG A 163
MET A 142
LEU A 122
 None
 0.99A 5iy5A-5b0nA:
undetectable
5iy5J-5b0nA:
undetectable		 5iy5A-5b0nA:
17.29
5iy5J-5b0nA:
13.95
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		4 ILE A4801
TYR A4762
MET A4765
THR A4767
 None
 0.96A 5iy5A-5f59A:
undetectable
5iy5J-5f59A:
undetectable		 5iy5A-5f59A:
13.20
5iy5J-5f59A:
14.47
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
 0.97A 5iy5A-5gk2A:
undetectable
5iy5J-5gk2A:
undetectable		 5iy5A-5gk2A:
19.85
5iy5J-5gk2A:
8.52
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 ILE A 305
LEU A 493
ARG A 298
LEU A 377
 None
 0.89A 5iy5A-5h2tA:
undetectable
5iy5J-5h2tA:
undetectable		 5iy5A-5h2tA:
20.56
5iy5J-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
 0.86A 5iy5A-5i2qA:
undetectable
5iy5J-5i2qA:
undetectable		 5iy5A-5i2qA:
11.61
5iy5J-5i2qA:
22.03
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.
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
 0.87A 5iy5A-5idiA:
undetectable
5iy5J-5idiA:
undetectable		 5iy5A-5idiA:
21.38
5iy5J-5idiA:
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.
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
 0.68A 5iy5A-5jw7B:
undetectable
5iy5J-5jw7B:
undetectable		 5iy5A-5jw7B:
10.76
5iy5J-5jw7B:
19.35
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 ILE A 703
LEU A 700
THR A  82
LEU A  81
 None
 0.85A 5iy5A-5jwfA:
3.1
5iy5J-5jwfA:
undetectable		 5iy5A-5jwfA:
20.60
5iy5J-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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 ILE A 700
LEU A 697
THR A  82
LEU A  81
 None
 0.83A 5iy5A-5jxkA:
0.3
5iy5J-5jxkA:
undetectable		 5iy5A-5jxkA:
18.80
5iy5J-5jxkA:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 ILE A 415
LEU A 412
ARG A 400
MET A 403
 None
 0.96A 5iy5A-5k0tA:
0.3
5iy5J-5k0tA:
undetectable		 5iy5A-5k0tA:
21.60
5iy5J-5k0tA:
8.46
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 286
ARG A 277
THR A 275
LEU A 274
 None
 0.80A 5iy5A-5k9tA:
undetectable
5iy5J-5k9tA:
undetectable		 5iy5A-5k9tA:
21.11
5iy5J-5k9tA:
8.62
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.
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
 0.80A 5iy5A-5mqmA:
undetectable
5iy5J-5mqmA:
undetectable		 5iy5A-5mqmA:
19.15
5iy5J-5mqmA:
4.01
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.
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
 0.92A 5iy5A-5nqdA:
undetectable
5iy5J-5nqdA:
undetectable		 5iy5A-5nqdA:
undetectable
5iy5J-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 5iy5A-5ny0A:
undetectable
5iy5J-5ny0A:
undetectable		 5iy5A-5ny0A:
undetectable
5iy5J-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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 0.97A 5iy5A-5o0lA:
undetectable
5iy5J-5o0lA:
undetectable		 5iy5A-5o0lA:
20.26
5iy5J-5o0lA:
10.53
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.
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 5iy5A-5vobC:
undetectable
5iy5J-5vobC:
undetectable		 5iy5A-5vobC:
14.92
5iy5J-5vobC:
20.13
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 243
TYR A  76
ARG A  78
LEU A 591
 None
 0.88A 5iy5A-5wugA:
undetectable
5iy5J-5wugA:
undetectable		 5iy5A-5wugA:
undetectable
5iy5J-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
 0.79A 5iy5A-5xagF:
undetectable
5iy5J-5xagF:
undetectable		 5iy5A-5xagF:
undetectable
5iy5J-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
 0.89A 5iy5A-5xfaA:
undetectable
5iy5J-5xfaA:
undetectable		 5iy5A-5xfaA:
22.80
5iy5J-5xfaA:
7.22
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.
5ydp TETR TRANSCRIPTIONAL
REGULATORY PROTEIN

(Dietzia sp.
DQ12-45-1b) 		PF00440
(TetR_N) 		4 ILE A 205
ARG A 181
THR A 153
LEU A 156
 None
 0.97A 5iy5A-5ydpA:
undetectable
5iy5J-5ydpA:
undetectable		 5iy5A-5ydpA:
18.45
5iy5J-5ydpA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 5iy5A-5yksA:
undetectable
5iy5J-5yksA:
undetectable		 5iy5A-5yksA:
19.85
5iy5J-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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 LEU A 172
ARG A 227
THR A 211
LEU A 214
 None
 0.98A 5iy5A-6co9A:
undetectable
5iy5J-6co9A:
undetectable		 5iy5A-6co9A:
undetectable
5iy5J-6co9A:
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
 0.81A 5iy5A-6gsaD:
undetectable
5iy5J-6gsaD:
undetectable		 5iy5A-6gsaD:
undetectable
5iy5J-6gsaD:
undetectable