SIMILAR PATTERNS OF AMINO ACIDS FOR 5B1B_J_CHDJ101_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.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.72A 5b1bA-1harA:
undetectable
5b1bJ-1harA:
0.1		 5b1bA-1harA:
18.00
5b1bJ-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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 ILE A 337
LEU A 306
ARG A 188
LEU A 245
 None
 0.99A 5b1bA-1idjA:
undetectable
5b1bJ-1idjA:
0.0		 5b1bA-1idjA:
21.59
5b1bJ-1idjA:
11.93
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
THR A  38
LEU A  37
 None
 0.77A 5b1bA-1jedA:
0.0
5b1bJ-1jedA:
undetectable		 5b1bA-1jedA:
21.17
5b1bJ-1jedA:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 5b1bA-1jfiB:
undetectable
5b1bJ-1jfiB:
1.6		 5b1bA-1jfiB:
14.49
5b1bJ-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.
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
 0.84A 5b1bA-1kt8A:
undetectable
5b1bJ-1kt8A:
0.0		 5b1bA-1kt8A:
22.71
5b1bJ-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.
1n4d VITAMIN B12
TRANSPORT PROTEIN
BTUF

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 LEU A 138
ARG A 224
THR A 218
LEU A 217
 None
 0.98A 5b1bA-1n4dA:
0.3
5b1bJ-1n4dA:
0.0		 5b1bA-1n4dA:
18.31
5b1bJ-1n4dA:
12.24
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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 0.95A 5b1bA-1oznA:
undetectable
5b1bJ-1oznA:
0.0		 5b1bA-1oznA:
19.64
5b1bJ-1oznA:
11.68
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
THR A  38
LEU A  37
 None
 0.75A 5b1bA-1r6xA:
0.0
5b1bJ-1r6xA:
0.0		 5b1bA-1r6xA:
21.48
5b1bJ-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.
1sa3 TYPE II RESTRICTION
ENZYME MSPI

(Moraxella sp.) 		PF09208
(Endonuc-MspI) 		4 ILE A 142
ARG A 179
THR A 172
LEU A 171
 None
 0.98A 5b1bA-1sa3A:
0.0
5b1bJ-1sa3A:
undetectable		 5b1bA-1sa3A:
18.96
5b1bJ-1sa3A:
13.18
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		4 LEU A 145
ARG A 114
THR A  79
LEU A  80
 None
 0.98A 5b1bA-1sr4A:
undetectable
5b1bJ-1sr4A:
undetectable		 5b1bA-1sr4A:
18.06
5b1bJ-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.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF13177
(DNA_pol3_delta2) 		4 LEU E  40
MET E 158
THR E 157
LEU E 154
 None
 1.00A 5b1bA-1sxjE:
0.0
5b1bJ-1sxjE:
undetectable		 5b1bA-1sxjE:
19.27
5b1bJ-1sxjE:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.78A 5b1bA-1w1kA:
0.0
5b1bJ-1w1kA:
undetectable		 5b1bA-1w1kA:
22.15
5b1bJ-1w1kA:
6.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 5b1bA-1wqlB:
undetectable
5b1bJ-1wqlB:
undetectable		 5b1bA-1wqlB:
16.39
5b1bJ-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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 ILE A  48
LEU A 144
THR A 148
LEU A 211
 None
 0.96A 5b1bA-1yw6A:
0.0
5b1bJ-1yw6A:
undetectable		 5b1bA-1yw6A:
20.62
5b1bJ-1yw6A:
11.73
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.
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
 0.84A 5b1bA-1zv4X:
2.2
5b1bJ-1zv4X:
undetectable		 5b1bA-1zv4X:
13.67
5b1bJ-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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
CATALYTIC CHAIN
ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Moritella
profunda;
Moritella
profunda) 		PF00185
(OTCace)
PF02729
(OTCace_N)
PF01948
(PyrI)
PF02748
(PyrI_C) 		4 ILE D 114
LEU A 115
ARG A 106
MET A 105
 None
 0.98A 5b1bA-2be7D:
undetectable
5b1bJ-2be7D:
undetectable		 5b1bA-2be7D:
17.43
5b1bJ-2be7D:
16.28
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.92A 5b1bA-2bwgA:
undetectable
5b1bJ-2bwgA:
undetectable		 5b1bA-2bwgA:
21.02
5b1bJ-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
 0.98A 5b1bA-2bx7A:
undetectable
5b1bJ-2bx7A:
undetectable		 5b1bA-2bx7A:
19.78
5b1bJ-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.
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
 0.93A 5b1bA-2j3zA:
undetectable
5b1bJ-2j3zA:
undetectable		 5b1bA-2j3zA:
19.36
5b1bJ-2j3zA:
12.62
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.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 1.00A 5b1bA-2la7A:
undetectable
5b1bJ-2la7A:
undetectable		 5b1bA-2la7A:
14.14
5b1bJ-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.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 324
ARG A 365
THR A 342
LEU A 341
 None
 0.97A 5b1bA-2omvA:
undetectable
5b1bJ-2omvA:
undetectable		 5b1bA-2omvA:
22.56
5b1bJ-2omvA:
6.94
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.
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
 0.83A 5b1bA-2ozgA:
undetectable
5b1bJ-2ozgA:
undetectable		 5b1bA-2ozgA:
21.72
5b1bJ-2ozgA:
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.73A 5b1bA-2p0dA:
undetectable
5b1bJ-2p0dA:
undetectable		 5b1bA-2p0dA:
12.67
5b1bJ-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
 0.81A 5b1bA-2p3gX:
1.8
5b1bJ-2p3gX:
undetectable		 5b1bA-2p3gX:
19.81
5b1bJ-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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 ILE A 148
LEU A 168
ARG A 126
LEU A  94
 None
None
ACT  A1173 (-3.0A)
None
 1.01A 5b1bA-2y4yA:
undetectable
5b1bJ-2y4yA:
undetectable		 5b1bA-2y4yA:
9.02
5b1bJ-2y4yA:
21.05
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.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		4 TYR J  32
MET J  36
THR J  37
LEU J  40
 None
 0.12A 5b1bA-2y69J:
undetectable
5b1bJ-2y69J:
7.9		 5b1bA-2y69J:
10.31
5b1bJ-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.
2ygk NURA

(Sulfolobus
solfataricus) 		PF09376
(NurA) 		4 ILE A 165
LEU A 162
ARG A 158
LEU A 185
 None
 1.00A 5b1bA-2ygkA:
undetectable
5b1bJ-2ygkA:
undetectable		 5b1bA-2ygkA:
19.31
5b1bJ-2ygkA:
10.30
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.
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
 1.00A 5b1bA-2z7xB:
undetectable
5b1bJ-2z7xB:
undetectable		 5b1bA-2z7xB:
23.01
5b1bJ-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.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 230
ARG A 151
MET A 177
LEU A 173
 None
 1.01A 5b1bA-2zsgA:
undetectable
5b1bJ-2zsgA:
undetectable		 5b1bA-2zsgA:
20.79
5b1bJ-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
 0.93A 5b1bA-3a24A:
undetectable
5b1bJ-3a24A:
undetectable		 5b1bA-3a24A:
22.34
5b1bJ-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.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 LEU A 215
ARG A 246
THR A 224
LEU A 223
 None
 0.95A 5b1bA-3bz5A:
undetectable
5b1bJ-3bz5A:
undetectable		 5b1bA-3bz5A:
21.45
5b1bJ-3bz5A:
8.90
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.
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
 0.60A 5b1bA-3c9bA:
undetectable
5b1bJ-3c9bA:
undetectable		 5b1bA-3c9bA:
16.41
5b1bJ-3c9bA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ILE X  25
LEU X  27
ARG X  43
LEU X  37
 None
 1.00A 5b1bA-3du1X:
undetectable
5b1bJ-3du1X:
undetectable		 5b1bA-3du1X:
17.83
5b1bJ-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.
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
 0.86A 5b1bA-3dy5A:
undetectable
5b1bJ-3dy5A:
undetectable		 5b1bA-3dy5A:
17.95
5b1bJ-3dy5A:
4.87
Potential target for repurposing, i.e. matched protein structure has less than 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 5b1bA-3fg4A:
undetectable
5b1bJ-3fg4A:
undetectable		 5b1bA-3fg4A:
20.56
5b1bJ-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 5b1bA-3fssA:
undetectable
5b1bJ-3fssA:
undetectable		 5b1bA-3fssA:
19.04
5b1bJ-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.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 ILE A 497
LEU A 532
THR A 493
LEU A 536
 None
 1.01A 5b1bA-3fw6A:
undetectable
5b1bJ-3fw6A:
undetectable		 5b1bA-3fw6A:
21.44
5b1bJ-3fw6A:
6.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf6 UNCHARACTERIZED
BACTERIAL
LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12956
(DUF3845) 		4 LEU A 216
MET A 105
THR A 104
LEU A 103
 None
 0.94A 5b1bA-3gf6A:
undetectable
5b1bJ-3gf6A:
undetectable		 5b1bA-3gf6A:
19.49
5b1bJ-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
 0.86A 5b1bA-3gjuA:
undetectable
5b1bJ-3gjuA:
undetectable		 5b1bA-3gjuA:
22.26
5b1bJ-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
 0.79A 5b1bA-3gzyB:
undetectable
5b1bJ-3gzyB:
undetectable		 5b1bA-3gzyB:
15.34
5b1bJ-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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.79A 5b1bA-3j4pA:
undetectable
5b1bJ-3j4pA:
undetectable		 5b1bA-3j4pA:
22.36
5b1bJ-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
 0.87A 5b1bA-3jzdA:
undetectable
5b1bJ-3jzdA:
undetectable		 5b1bA-3jzdA:
22.15
5b1bJ-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
 0.59A 5b1bA-3k13A:
undetectable
5b1bJ-3k13A:
undetectable		 5b1bA-3k13A:
20.20
5b1bJ-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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 ILE F 166
LEU F 163
ARG F 111
LEU F 153
 None
 0.91A 5b1bA-3kfuF:
undetectable
5b1bJ-3kfuF:
undetectable		 5b1bA-3kfuF:
18.69
5b1bJ-3kfuF:
10.22
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.
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
 0.86A 5b1bA-3muuA:
undetectable
5b1bJ-3muuA:
undetectable		 5b1bA-3muuA:
21.45
5b1bJ-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
 0.97A 5b1bA-3n5nX:
undetectable
5b1bJ-3n5nX:
undetectable		 5b1bA-3n5nX:
18.74
5b1bJ-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
 0.85A 5b1bA-3ng9A:
undetectable
5b1bJ-3ng9A:
undetectable		 5b1bA-3ng9A:
21.77
5b1bJ-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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.73A 5b1bA-3p8cB:
3.5
5b1bJ-3p8cB:
undetectable		 5b1bA-3p8cB:
18.35
5b1bJ-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
 0.77A 5b1bA-3pf2A:
undetectable
5b1bJ-3pf2A:
undetectable		 5b1bA-3pf2A:
18.65
5b1bJ-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.
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 5b1bA-3rr1A:
undetectable
5b1bJ-3rr1A:
undetectable		 5b1bA-3rr1A:
22.10
5b1bJ-3rr1A:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 TYR A 315
MET A 319
THR A 320
LEU A 324
 None
 0.98A 5b1bA-3se7A:
undetectable
5b1bJ-3se7A:
undetectable		 5b1bA-3se7A:
21.97
5b1bJ-3se7A:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5b1bA-3ux1A:
undetectable
5b1bJ-3ux1A:
undetectable		 5b1bA-3ux1A:
22.87
5b1bJ-3ux1A:
9.72
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.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 ILE A 191
LEU A 186
THR A  23
LEU A  22
 None
 0.93A 5b1bA-3v85A:
undetectable
5b1bJ-3v85A:
undetectable		 5b1bA-3v85A:
17.05
5b1bJ-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
 1.01A 5b1bA-3wa8A:
undetectable
5b1bJ-3wa8A:
undetectable		 5b1bA-3wa8A:
13.36
5b1bJ-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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 ILE A 192
ARG A 125
THR A 129
LEU A 132
 None
 0.88A 5b1bA-3we7A:
undetectable
5b1bJ-3we7A:
undetectable		 5b1bA-3we7A:
18.46
5b1bJ-3we7A:
14.11
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.
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
 0.95A 5b1bA-3zo9A:
undetectable
5b1bJ-3zo9A:
undetectable		 5b1bA-3zo9A:
21.46
5b1bJ-3zo9A:
7.25
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 ILE A 515
LEU A 511
THR A 554
LEU A 555
 None
 0.99A 5b1bA-3zqjA:
undetectable
5b1bJ-3zqjA:
undetectable		 5b1bA-3zqjA:
18.59
5b1bJ-3zqjA:
4.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5b1bA-4b8cD:
undetectable
5b1bJ-4b8cD:
undetectable		 5b1bA-4b8cD:
21.05
5b1bJ-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 5b1bA-4f9lD:
undetectable
5b1bJ-4f9lD:
undetectable		 5b1bA-4f9lD:
18.81
5b1bJ-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.
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
 0.92A 5b1bA-4hk1A:
undetectable
5b1bJ-4hk1A:
undetectable		 5b1bA-4hk1A:
19.03
5b1bJ-4hk1A:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ILE B 116
LEU B 135
THR B 111
LEU B 109
 None
 0.92A 5b1bA-4htfB:
undetectable
5b1bJ-4htfB:
undetectable		 5b1bA-4htfB:
18.97
5b1bJ-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  90
LEU A  81
 None
 0.89A 5b1bA-4i9fA:
undetectable
5b1bJ-4i9fA:
undetectable		 5b1bA-4i9fA:
20.93
5b1bJ-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.
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
 0.95A 5b1bA-4i9fA:
undetectable
5b1bJ-4i9fA:
undetectable		 5b1bA-4i9fA:
20.93
5b1bJ-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.
4iox TRIPARTITE TERMINASE
SUBUNIT UL15

(Human
alphaherpesvirus
1) 		PF02499
(DNA_pack_C) 		4 LEU A 677
ARG A 485
THR A 479
LEU A 478
 None
 1.00A 5b1bA-4ioxA:
undetectable
5b1bJ-4ioxA:
undetectable		 5b1bA-4ioxA:
21.00
5b1bJ-4ioxA:
9.22
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.
4j80 CHAPERONE PROTEIN
DNAJ 2

(Thermus
thermophilus) 		PF00226
(DnaJ)
PF01556
(DnaJ_C) 		4 ILE A 152
LEU A 169
ARG A 147
LEU A 118
 None
 0.98A 5b1bA-4j80A:
undetectable
5b1bJ-4j80A:
undetectable		 5b1bA-4j80A:
18.79
5b1bJ-4j80A:
10.92
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.
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
 0.80A 5b1bA-4kemA:
undetectable
5b1bJ-4kemA:
undetectable		 5b1bA-4kemA:
21.75
5b1bJ-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
 0.71A 5b1bA-4om9A:
undetectable
5b1bJ-4om9A:
undetectable		 5b1bA-4om9A:
19.71
5b1bJ-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
 0.82A 5b1bA-4oqfA:
undetectable
5b1bJ-4oqfA:
undetectable		 5b1bA-4oqfA:
20.15
5b1bJ-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.
4p8s RETICULON-4
RECEPTOR-LIKE 2

(Rattus
norvegicus) 		PF13855
(LRR_8) 		4 LEU A 258
ARG A 207
THR A 230
LEU A 253
 None
 1.00A 5b1bA-4p8sA:
undetectable
5b1bJ-4p8sA:
undetectable		 5b1bA-4p8sA:
18.85
5b1bJ-4p8sA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 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 5b1bA-4pj3A:
1.4
5b1bJ-4pj3A:
undetectable		 5b1bA-4pj3A:
15.67
5b1bJ-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.
4q5y MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		4 ILE A2428
MET A2376
THR A2377
LEU A2380
 None
 0.96A 5b1bA-4q5yA:
undetectable
5b1bJ-4q5yA:
undetectable		 5b1bA-4q5yA:
20.42
5b1bJ-4q5yA:
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		4 ILE A 189
LEU A  98
ARG A 363
LEU A 386
 None
 0.87A 5b1bA-4qbuA:
undetectable
5b1bJ-4qbuA:
undetectable		 5b1bA-4qbuA:
20.36
5b1bJ-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
 0.96A 5b1bA-4r85A:
undetectable
5b1bJ-4r85A:
undetectable		 5b1bA-4r85A:
22.06
5b1bJ-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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.71A 5b1bA-4rwtC:
undetectable
5b1bJ-4rwtC:
undetectable		 5b1bA-4rwtC:
19.44
5b1bJ-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.
4tzh LIC12234

(Leptospira
interrogans) 		PF13855
(LRR_8) 		4 ILE A 153
LEU A 176
THR A 147
LEU A 169
 None
 0.95A 5b1bA-4tzhA:
undetectable
5b1bJ-4tzhA:
undetectable		 5b1bA-4tzhA:
14.99
5b1bJ-4tzhA:
15.92
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.
4wuj GLYCOSIDE HYDROLASE
FAMILY 15, CELLULOSE
SIGNALING ASSOCIATED
PROTEIN ENVOY

(Trichoderma
reesei) 		PF13426
(PAS_9) 		4 ILE A  81
LEU A  78
THR A 101
LEU A 100
 None
None
FMN  A5201 (-3.4A)
None
 0.91A 5b1bA-4wujA:
undetectable
5b1bJ-4wujA:
undetectable		 5b1bA-4wujA:
16.16
5b1bJ-4wujA:
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ILE A 181
TYR A 169
MET A 166
LEU A 129
 None
 0.96A 5b1bA-4wzhA:
undetectable
5b1bJ-4wzhA:
undetectable		 5b1bA-4wzhA:
21.76
5b1bJ-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
 0.98A 5b1bA-4xkqA:
undetectable
5b1bJ-4xkqA:
undetectable		 5b1bA-4xkqA:
20.93
5b1bJ-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
 0.99A 5b1bA-4yk6A:
undetectable
5b1bJ-4yk6A:
undetectable		 5b1bA-4yk6A:
18.86
5b1bJ-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.
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
 0.85A 5b1bA-5aeuB:
undetectable
5b1bJ-5aeuB:
undetectable		 5b1bA-5aeuB:
15.05
5b1bJ-5aeuB:
18.71
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.
5cyl FIMBRIAL SUBUNIT
CUPB6

(Pseudomonas
aeruginosa) 		PF00419
(Fimbrial) 		4 ILE A 204
LEU A 140
THR A  33
LEU A 128
 None
 0.98A 5b1bA-5cylA:
undetectable
5b1bJ-5cylA:
undetectable		 5b1bA-5cylA:
20.50
5b1bJ-5cylA:
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
 1.01A 5b1bA-5gk2A:
undetectable
5b1bJ-5gk2A:
undetectable		 5b1bA-5gk2A:
19.85
5b1bJ-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
 0.81A 5b1bA-5h2tA:
undetectable
5b1bJ-5h2tA:
undetectable		 5b1bA-5h2tA:
20.56
5b1bJ-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
 0.87A 5b1bA-5i2qA:
undetectable
5b1bJ-5i2qA:
undetectable		 5b1bA-5i2qA:
11.61
5b1bJ-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.
5ic8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ARG A 127
MET A 130
THR A 131
LEU A 134
 None
 0.82A 5b1bA-5ic8A:
undetectable
5b1bJ-5ic8A:
undetectable		 5b1bA-5ic8A:
20.39
5b1bJ-5ic8A:
11.58
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.
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
 0.95A 5b1bA-5idiA:
undetectable
5b1bJ-5idiA:
undetectable		 5b1bA-5idiA:
21.38
5b1bJ-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
 0.69A 5b1bA-5jw7B:
undetectable
5b1bJ-5jw7B:
undetectable		 5b1bA-5jw7B:
10.76
5b1bJ-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
 0.81A 5b1bA-5jwfA:
0.8
5b1bJ-5jwfA:
undetectable		 5b1bA-5jwfA:
20.60
5b1bJ-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
 0.78A 5b1bA-5jxkA:
1.9
5b1bJ-5jxkA:
undetectable		 5b1bA-5jxkA:
18.80
5b1bJ-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
 0.97A 5b1bA-5k0tA:
undetectable
5b1bJ-5k0tA:
undetectable		 5b1bA-5k0tA:
21.60
5b1bJ-5k0tA:
8.44
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.
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
 0.79A 5b1bA-5mqmA:
undetectable
5b1bJ-5mqmA:
undetectable		 5b1bA-5mqmA:
19.15
5b1bJ-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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 4 ILE A 427
MET A 477
THR A 476
LEU A 475
 None
 0.80A 5b1bA-5ny0A:
undetectable
5b1bJ-5ny0A:
undetectable		 5b1bA-5ny0A:
undetectable
5b1bJ-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
 0.87A 5b1bA-5o0lA:
undetectable
5b1bJ-5o0lA:
undetectable		 5b1bA-5o0lA:
20.26
5b1bJ-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.
5opt 40S RIBOSOMAL
PROTEIN S12

(Trypanosoma
cruzi) 		no annotation 4 ILE i  77
LEU i  64
ARG i  57
LEU i 140
 None
 1.01A 5b1bA-5opti:
undetectable
5b1bJ-5opti:
undetectable		 5b1bA-5opti:
13.81
5b1bJ-5opti:
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.
5vob ENVELOPE
GLYCOPROTEIN UL128

(Human
betaherpesvirus
5) 		no annotation 4 ILE C 109
LEU C 103
THR C  85
LEU C  84
 None
 0.86A 5b1bA-5vobC:
undetectable
5b1bJ-5vobC:
undetectable		 5b1bA-5vobC:
14.92
5b1bJ-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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 ILE F 201
LEU F 221
THR F 278
LEU F 271
 None
 0.77A 5b1bA-5xagF:
undetectable
5b1bJ-5xagF:
undetectable		 5b1bA-5xagF:
undetectable
5b1bJ-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 5b1bA-5xfaA:
2.8
5b1bJ-5xfaA:
undetectable		 5b1bA-5xfaA:
22.80
5b1bJ-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.
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
 1.00A 5b1bA-5ydpA:
2.1
5b1bJ-5ydpA:
undetectable		 5b1bA-5ydpA:
18.45
5b1bJ-5ydpA:
14.69
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.
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
 0.81A 5b1bA-5yksA:
1.6
5b1bJ-5yksA:
undetectable		 5b1bA-5yksA:
19.85
5b1bJ-5yksA:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.82A 5b1bA-6gsaD:
undetectable
5b1bJ-6gsaD:
undetectable		 5b1bA-6gsaD:
undetectable
5b1bJ-6gsaD:
undetectable