SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDQ_W_CHDW101

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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		5 ILE A 350
ARG A 308
MET A 311
THR A 312
LEU A 315
 None
 1.24A 5xdqN-1floA:
0.0
5xdqW-1floA:
0.0		 5xdqN-1floA:
21.78
5xdqW-1floA:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g13 GANGLIOSIDE M2
ACTIVATOR PROTEIN

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		4 ILE A  66
LEU A  55
THR A 134
LEU A 159
 None
 0.96A 5xdqN-1g13A:
undetectable
5xdqW-1g13A:
undetectable		 5xdqN-1g13A:
15.26
5xdqW-1g13A:
14.20
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.
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
 0.95A 5xdqN-1harA:
undetectable
5xdqW-1harA:
0.0		 5xdqN-1harA:
18.00
5xdqW-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.
1hlk BETA-LACTAMASE, TYPE
II

(Bacteroides
fragilis) 		no annotation 4 TYR A 157
MET A 123
THR A 124
LEU A 127
 None
 0.89A 5xdqN-1hlkA:
undetectable
5xdqW-1hlkA:
0.0		 5xdqN-1hlkA:
18.15
5xdqW-1hlkA:
14.55
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A  48
LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.91A 5xdqN-1jedA:
0.0
5xdqW-1jedA:
undetectable		 5xdqN-1jedA:
21.17
5xdqW-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 5xdqN-1jfiB:
undetectable
5xdqW-1jfiB:
1.7		 5xdqN-1jfiB:
14.49
5xdqW-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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 335
LEU A 339
TYR A 310
ARG A 328
THR A 312
 None
None
None
HG  A 614 ( 4.9A)
None
 1.24A 5xdqN-1pm2A:
0.8
5xdqW-1pm2A:
undetectable		 5xdqN-1pm2A:
19.19
5xdqW-1pm2A:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qh4 CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 ILE A 297
LEU A 299
ARG A 320
LEU A 312
 None
 0.90A 5xdqN-1qh4A:
0.0
5xdqW-1qh4A:
0.0		 5xdqN-1qh4A:
20.15
5xdqW-1qh4A:
10.03
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) 		5 ILE A  48
LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.91A 5xdqN-1r6xA:
0.0
5xdqW-1r6xA:
undetectable		 5xdqN-1r6xA:
21.48
5xdqW-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.
1sc3 INTERLEUKIN-1 BETA
CONVERTASE

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 ILE A 282
MET A 211
THR A 212
LEU A 215
 None
 0.94A 5xdqN-1sc3A:
undetectable
5xdqW-1sc3A:
undetectable		 5xdqN-1sc3A:
15.28
5xdqW-1sc3A:
19.85
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.
1sw6 REGULATORY PROTEIN
SWI6

(Saccharomyces
cerevisiae) 		PF00023
(Ank)
PF13857
(Ank_5) 		4 ILE A 449
LEU A 221
MET A 233
LEU A 383
 None
 0.94A 5xdqN-1sw6A:
0.0
5xdqW-1sw6A:
undetectable		 5xdqN-1sw6A:
19.15
5xdqW-1sw6A:
14.45
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.
1v9v KIAA0561 PROTEIN

(Homo sapiens) 		PF08926
(DUF1908) 		4 ILE A 102
LEU A  99
THR A  23
LEU A  22
 None
 0.95A 5xdqN-1v9vA:
undetectable
5xdqW-1v9vA:
undetectable		 5xdqN-1v9vA:
12.30
5xdqW-1v9vA:
15.52
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.
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
 0.91A 5xdqN-1w1kA:
0.0
5xdqW-1w1kA:
undetectable		 5xdqN-1w1kA:
22.15
5xdqW-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
 0.89A 5xdqN-1wqlB:
undetectable
5xdqW-1wqlB:
undetectable		 5xdqN-1wqlB:
16.39
5xdqW-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.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.94A 5xdqN-1wvrA:
undetectable
5xdqW-1wvrA:
undetectable		 5xdqN-1wvrA:
15.85
5xdqW-1wvrA:
14.35
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ILE A 367
LEU A 340
ARG A 305
LEU A 277
 None
 0.93A 5xdqN-1ycgA:
0.0
5xdqW-1ycgA:
undetectable		 5xdqN-1ycgA:
22.05
5xdqW-1ycgA:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysp TRANSCRIPTIONAL
REGULATOR KDGR

(Escherichia
coli) 		PF01614
(IclR) 		4 ILE A  35
LEU A  24
ARG A  53
LEU A  65
 None
 0.91A 5xdqN-1yspA:
undetectable
5xdqW-1yspA:
undetectable		 5xdqN-1yspA:
15.37
5xdqW-1yspA:
17.37
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.
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
 0.93A 5xdqN-1zv4X:
undetectable
5xdqW-1zv4X:
undetectable		 5xdqN-1zv4X:
13.67
5xdqW-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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 ILE A  67
LEU A  23
THR A  18
LEU A  17
 None
 0.93A 5xdqN-1zypA:
undetectable
5xdqW-1zypA:
undetectable		 5xdqN-1zypA:
16.98
5xdqW-1zypA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 LEU A 227
TYR A  72
THR A  77
LEU A  80
 None
 0.67A 5xdqN-2b9bA:
undetectable
5xdqW-2b9bA:
2.5		 5xdqN-2b9bA:
21.63
5xdqW-2b9bA:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.90A 5xdqN-2bwgA:
undetectable
5xdqW-2bwgA:
undetectable		 5xdqN-2bwgA:
21.02
5xdqW-2bwgA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 ILE A 491
LEU A 488
THR A 457
LEU A 456
 None
 0.88A 5xdqN-2c4mA:
2.5
5xdqW-2c4mA:
undetectable		 5xdqN-2c4mA:
19.75
5xdqW-2c4mA:
6.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eg5 XANTHOSINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		4 ILE A 287
LEU A 363
THR A 292
LEU A 359
 None
 0.90A 5xdqN-2eg5A:
undetectable
5xdqW-2eg5A:
undetectable		 5xdqN-2eg5A:
22.14
5xdqW-2eg5A:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu0 TYROSINE-PROTEIN
KINASE ITK/TSK

(Mus musculus) 		PF00017
(SH2) 		4 ILE A  91
LEU A  90
THR A 103
LEU A 101
 None
 0.96A 5xdqN-2eu0A:
undetectable
5xdqW-2eu0A:
undetectable		 5xdqN-2eu0A:
11.27
5xdqW-2eu0A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 LEU A 257
MET A 285
THR A 286
LEU A 289
 None
 0.74A 5xdqN-2is7A:
undetectable
5xdqW-2is7A:
undetectable		 5xdqN-2is7A:
19.46
5xdqW-2is7A:
11.36
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.
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
 0.90A 5xdqN-2j3zA:
undetectable
5xdqW-2j3zA:
undetectable		 5xdqN-2j3zA:
19.36
5xdqW-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.
2kbq HARMONIN

(Homo sapiens) 		no annotation 4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.84A 5xdqN-2kbqA:
undetectable
5xdqW-2kbqA:
undetectable		 5xdqN-2kbqA:
8.84
5xdqW-2kbqA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.87A 5xdqN-2la7A:
undetectable
5xdqW-2la7A:
undetectable		 5xdqN-2la7A:
14.14
5xdqW-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.
2mhf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00027
(cNMP_binding) 		4 ILE A  84
LEU A  44
THR A  79
LEU A  78
 None
 0.96A 5xdqN-2mhfA:
undetectable
5xdqW-2mhfA:
undetectable		 5xdqN-2mhfA:
14.06
5xdqW-2mhfA:
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.
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
 0.89A 5xdqN-2omvA:
undetectable
5xdqW-2omvA:
undetectable		 5xdqN-2omvA:
22.56
5xdqW-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
 0.94A 5xdqN-2ozgA:
undetectable
5xdqW-2ozgA:
undetectable		 5xdqN-2ozgA:
21.72
5xdqW-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
 0.74A 5xdqN-2p0dA:
undetectable
5xdqW-2p0dA:
undetectable		 5xdqN-2p0dA:
12.67
5xdqW-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.
2qjw UNCHARACTERIZED
PROTEIN XCC1541

(Xanthomonas
campestris) 		no annotation 4 ILE A 121
LEU A  99
THR A 106
LEU A 114
 None
 0.89A 5xdqN-2qjwA:
undetectable
5xdqW-2qjwA:
undetectable		 5xdqN-2qjwA:
16.20
5xdqW-2qjwA:
16.77
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.
2w6l COBE

(Pseudomonas
aeruginosa) 		PF01890
(CbiG_C) 		4 ILE A 130
LEU A  28
ARG A  16
LEU A  57
 None
 0.94A 5xdqN-2w6lA:
undetectable
5xdqW-2w6lA:
undetectable		 5xdqN-2w6lA:
12.79
5xdqW-2w6lA:
18.38
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.
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
 0.96A 5xdqN-2wokA:
3.2
5xdqW-2wokA:
undetectable		 5xdqN-2wokA:
21.99
5xdqW-2wokA:
7.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.88A 5xdqN-2wy0C:
undetectable
5xdqW-2wy0C:
undetectable		 5xdqN-2wy0C:
21.21
5xdqW-2wy0C:
8.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfb E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		4 ILE B 165
ARG B 150
THR B 190
LEU B  98
 None
 0.93A 5xdqN-2xfbB:
undetectable
5xdqW-2xfbB:
undetectable		 5xdqN-2xfbB:
20.65
5xdqW-2xfbB:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfc E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		4 ILE B 165
ARG B 150
THR B 190
LEU B  98
 None
 0.94A 5xdqN-2xfcB:
undetectable
5xdqW-2xfcB:
undetectable		 5xdqN-2xfcB:
20.34
5xdqW-2xfcB:
8.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 ILE A  75
LEU A  77
THR A  60
LEU A  59
 None
 0.74A 5xdqN-2y24A:
undetectable
5xdqW-2y24A:
undetectable		 5xdqN-2y24A:
22.63
5xdqW-2y24A:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		5 TYR J  32
ARG J  33
MET J  36
THR J  37
LEU J  40
 None
 0.75A 5xdqN-2y69J:
undetectable
5xdqW-2y69J:
8.0		 5xdqN-2y69J:
10.31
5xdqW-2y69J:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 420
MET A 438
THR A 416
LEU A 415
 None
 0.95A 5xdqN-2z81A:
undetectable
5xdqW-2z81A:
undetectable		 5xdqN-2z81A:
19.70
5xdqW-2z81A:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.60A 5xdqN-2ziuA:
undetectable
5xdqW-2ziuA:
undetectable		 5xdqN-2ziuA:
18.55
5xdqW-2ziuA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ILE A 230
ARG A 151
MET A 177
THR A 176
LEU A 173
 None
 1.14A 5xdqN-2zsgA:
2.7
5xdqW-2zsgA:
undetectable		 5xdqN-2zsgA:
20.79
5xdqW-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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		4 ILE A  66
ARG A 100
THR A  42
LEU A  43
 None
 0.89A 5xdqN-3b4uA:
undetectable
5xdqW-3b4uA:
undetectable		 5xdqN-3b4uA:
20.99
5xdqW-3b4uA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.89A 5xdqN-3bn1A:
undetectable
5xdqW-3bn1A:
undetectable		 5xdqN-3bn1A:
21.12
5xdqW-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.
3brc CONSERVED PROTEIN OF
UNKNOWN FUNCTION

(Methanothermobacter
thermautotrophicus) 		PF11576
(DUF3236) 		4 LEU A  96
MET A 145
THR A 146
LEU A 149
 None
 0.92A 5xdqN-3brcA:
undetectable
5xdqW-3brcA:
undetectable		 5xdqN-3brcA:
15.00
5xdqW-3brcA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.72A 5xdqN-3c9bA:
undetectable
5xdqW-3c9bA:
undetectable		 5xdqN-3c9bA:
16.41
5xdqW-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.
3ck6 PUTATIVE MEMBRANE
TRANSPORT PROTEIN

(Vibrio
parahaemolyticus) 		PF01544
(CorA) 		4 ILE A  97
LEU A  76
ARG A 108
LEU A 142
 None
None
CL  A 250 (-4.4A)
CL  A 252 (-4.7A)
 0.96A 5xdqN-3ck6A:
1.5
5xdqW-3ck6A:
undetectable		 5xdqN-3ck6A:
17.82
5xdqW-3ck6A:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 ILE A  64
TYR A 128
MET A 132
LEU A 136
 None
 0.42A 5xdqN-3ctzA:
1.9
5xdqW-3ctzA:
undetectable		 5xdqN-3ctzA:
21.45
5xdqW-3ctzA:
7.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		4 ILE A 105
LEU A 120
THR A  97
LEU A  96
 None
 0.92A 5xdqN-3dkaA:
undetectable
5xdqW-3dkaA:
undetectable		 5xdqN-3dkaA:
13.42
5xdqW-3dkaA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ILE X  25
LEU X  27
ARG X  43
LEU X  37
 None
 0.82A 5xdqN-3du1X:
undetectable
5xdqW-3du1X:
undetectable		 5xdqN-3du1X:
17.83
5xdqW-3du1X:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7f 6-PHOSPHOGLUCONOLACT
ONASE

(Trypanosoma
brucei) 		PF01182
(Glucosamine_iso) 		4 ILE A 230
LEU A 231
THR A 219
LEU A 255
 None
 0.82A 5xdqN-3e7fA:
undetectable
5xdqW-3e7fA:
undetectable		 5xdqN-3e7fA:
19.65
5xdqW-3e7fA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebb PHOSPHOLIPASE
A2-ACTIVATING
PROTEIN

(Homo sapiens) 		PF08324
(PUL) 		4 ILE A 644
ARG A 680
MET A 676
LEU A 675
 None
 0.95A 5xdqN-3ebbA:
undetectable
5xdqW-3ebbA:
undetectable		 5xdqN-3ebbA:
19.27
5xdqW-3ebbA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enp TP53RK-BINDING
PROTEIN

(Homo sapiens) 		PF08617
(CGI-121) 		4 ILE A 165
LEU A 162
MET A 140
THR A  46
 None
 0.85A 5xdqN-3enpA:
undetectable
5xdqW-3enpA:
undetectable		 5xdqN-3enpA:
16.92
5xdqW-3enpA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		4 ILE A 417
MET A 363
THR A 362
LEU A 359
 None
 0.91A 5xdqN-3fcrA:
undetectable
5xdqW-3fcrA:
undetectable		 5xdqN-3fcrA:
22.22
5xdqW-3fcrA:
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.
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
 0.76A 5xdqN-3fg4A:
1.6
5xdqW-3fg4A:
undetectable		 5xdqN-3fg4A:
20.56
5xdqW-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.
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
 1.45A 5xdqN-3gf6A:
undetectable
5xdqW-3gf6A:
undetectable		 5xdqN-3gf6A:
19.49
5xdqW-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
 0.95A 5xdqN-3gjuA:
undetectable
5xdqW-3gjuA:
undetectable		 5xdqN-3gjuA:
22.26
5xdqW-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 5xdqN-3gzyB:
undetectable
5xdqW-3gzyB:
undetectable		 5xdqN-3gzyB:
15.34
5xdqW-3gzyB:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 ILE A 147
LEU A 152
THR A 331
LEU A 332
 None
 0.78A 5xdqN-3h5tA:
undetectable
5xdqW-3h5tA:
undetectable		 5xdqN-3h5tA:
21.02
5xdqW-3h5tA:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.79A 5xdqN-3hn5A:
undetectable
5xdqW-3hn5A:
undetectable		 5xdqN-3hn5A:
17.12
5xdqW-3hn5A:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		4 ILE A  55
LEU A  48
THR A 115
LEU A 114
 None
 0.92A 5xdqN-3hveA:
undetectable
5xdqW-3hveA:
undetectable		 5xdqN-3hveA:
17.61
5xdqW-3hveA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		4 ILE A 374
LEU A 249
ARG A 245
LEU A 317
 None
 0.86A 5xdqN-3j4pA:
undetectable
5xdqW-3j4pA:
undetectable		 5xdqN-3j4pA:
22.36
5xdqW-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.
3k1r HARMONIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.91A 5xdqN-3k1rA:
undetectable
5xdqW-3k1rA:
undetectable		 5xdqN-3k1rA:
14.45
5xdqW-3k1rA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 5xdqN-3kfuF:
undetectable
5xdqW-3kfuF:
undetectable		 5xdqN-3kfuF:
18.69
5xdqW-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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 172
TYR A 245
ARG A 126
THR A 143
 None
 0.95A 5xdqN-3kt4A:
undetectable
5xdqW-3kt4A:
undetectable		 5xdqN-3kt4A:
19.94
5xdqW-3kt4A:
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ILE A 104
LEU A  99
ARG A  83
THR A  86
 None
 0.91A 5xdqN-3l2nA:
undetectable
5xdqW-3l2nA:
undetectable		 5xdqN-3l2nA:
21.32
5xdqW-3l2nA:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mop MYELOID
DIFFERENTIATION
PRIMARY RESPONSE
PROTEIN MYD88

(Homo sapiens) 		PF00531
(Death) 		4 ILE A 109
ARG A  88
MET A  19
LEU A  20
 None
 0.85A 5xdqN-3mopA:
undetectable
5xdqW-3mopA:
undetectable		 5xdqN-3mopA:
14.04
5xdqW-3mopA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 ILE A 283
ARG A 298
THR A 296
LEU A 295
 None
 0.75A 5xdqN-3muuA:
undetectable
5xdqW-3muuA:
undetectable		 5xdqN-3muuA:
21.45
5xdqW-3muuA:
6.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n40 P62 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop)
PF01563
(Alpha_E3_glycop) 		4 ILE P 165
ARG P 150
THR P 190
LEU P  98
 None
 0.93A 5xdqN-3n40P:
undetectable
5xdqW-3n40P:
undetectable		 5xdqN-3n40P:
21.28
5xdqW-3n40P:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.73A 5xdqN-3ng9A:
undetectable
5xdqW-3ng9A:
undetectable		 5xdqN-3ng9A:
21.77
5xdqW-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.
3nmz APC VARIANT PROTEIN

(Homo sapiens) 		PF00514
(Arm) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 0.94A 5xdqN-3nmzA:
2.4
5xdqW-3nmzA:
undetectable		 5xdqN-3nmzA:
21.23
5xdqW-3nmzA:
9.01
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.
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)
 0.88A 5xdqN-3om9A:
0.7
5xdqW-3om9A:
undetectable		 5xdqN-3om9A:
20.12
5xdqW-3om9A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.75A 5xdqN-3p8cB:
1.5
5xdqW-3p8cB:
undetectable		 5xdqN-3p8cB:
18.35
5xdqW-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
 0.72A 5xdqN-3pf2A:
undetectable
5xdqW-3pf2A:
undetectable		 5xdqN-3pf2A:
18.65
5xdqW-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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 TYR A 191
MET A 141
THR A 142
LEU A 145
 None
 0.84A 5xdqN-3q6vA:
undetectable
5xdqW-3q6vA:
undetectable		 5xdqN-3q6vA:
17.76
5xdqW-3q6vA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 375
LEU A 250
ARG A 246
LEU A 318
 None
 0.78A 5xdqN-3ra2A:
undetectable
5xdqW-3ra2A:
undetectable		 5xdqN-3ra2A:
23.22
5xdqW-3ra2A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  93
LEU A  90
THR A   7
LEU A   6
 None
 0.71A 5xdqN-3rr1A:
undetectable
5xdqW-3rr1A:
undetectable		 5xdqN-3rr1A:
22.10
5xdqW-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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.82A 5xdqN-3shmA:
undetectable
5xdqW-3shmA:
undetectable		 5xdqN-3shmA:
22.63
5xdqW-3shmA:
8.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ILE A  40
LEU A  60
THR A  35
LEU A  34
 None
 0.91A 5xdqN-3sutA:
undetectable
5xdqW-3sutA:
undetectable		 5xdqN-3sutA:
23.64
5xdqW-3sutA:
8.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE A 352
LEU A 377
THR A 348
LEU A 372
 None
 0.90A 5xdqN-3t6qA:
undetectable
5xdqW-3t6qA:
undetectable		 5xdqN-3t6qA:
19.07
5xdqW-3t6qA:
7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 5xdqN-3ux1A:
undetectable
5xdqW-3ux1A:
undetectable		 5xdqN-3ux1A:
22.87
5xdqW-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
 0.87A 5xdqN-3v85A:
undetectable
5xdqW-3v85A:
undetectable		 5xdqN-3v85A:
17.05
5xdqW-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
 0.93A 5xdqN-3wa8A:
undetectable
5xdqW-3wa8A:
undetectable		 5xdqN-3wa8A:
13.36
5xdqW-3wa8A:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 ILE A 261
LEU A 264
THR A 250
LEU A 249
 None
 0.85A 5xdqN-3wibA:
undetectable
5xdqW-3wibA:
undetectable		 5xdqN-3wibA:
20.31
5xdqW-3wibA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 LEU A 676
ARG A 688
THR A 628
LEU A 627
 None
 0.87A 5xdqN-3zqjA:
undetectable
5xdqW-3zqjA:
undetectable		 5xdqN-3zqjA:
18.59
5xdqW-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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 ILE A 438
MET A 390
THR A 391
LEU A 394
 None
 0.92A 5xdqN-4a2qA:
2.1
5xdqW-4a2qA:
undetectable		 5xdqN-4a2qA:
18.94
5xdqW-4a2qA:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 ILE A 193
TYR A 277
THR A 203
LEU A 202
 None
 0.91A 5xdqN-4b4oA:
undetectable
5xdqW-4b4oA:
undetectable		 5xdqN-4b4oA:
22.69
5xdqW-4b4oA:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		4 ILE D 376
LEU D 399
THR D 370
LEU D 392
 None
 0.82A 5xdqN-4b8cD:
undetectable
5xdqW-4b8cD:
undetectable		 5xdqN-4b8cD:
21.05
5xdqW-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.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		4 LEU A 119
MET A  59
THR A  60
LEU A  54
 None
 0.92A 5xdqN-4blpA:
undetectable
5xdqW-4blpA:
undetectable		 5xdqN-4blpA:
20.49
5xdqW-4blpA:
12.26
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		4 LEU A 732
ARG A 425
THR A 759
LEU A 758
 None
 0.83A 5xdqN-4ecnA:
undetectable
5xdqW-4ecnA:
undetectable		 5xdqN-4ecnA:
19.75
5xdqW-4ecnA:
5.74
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		4 ILE A 128
LEU A 150
THR A 124
LEU A 145
 None
 0.85A 5xdqN-4fmzA:
undetectable
5xdqW-4fmzA:
undetectable		 5xdqN-4fmzA:
20.75
5xdqW-4fmzA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6q PUTATIVE
UNCHARACTERIZED
PROTEIN

(Kribbella
flavida) 		PF12840
(HTH_20) 		4 LEU A  82
ARG A  78
THR A  36
LEU A  39
 None
 0.94A 5xdqN-4g6qA:
undetectable
5xdqW-4g6qA:
undetectable		 5xdqN-4g6qA:
16.97
5xdqW-4g6qA:
13.66
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 ILE B 116
LEU B 135
THR B 111
LEU B 109
 None
 0.88A 5xdqN-4htfB:
undetectable
5xdqW-4htfB:
undetectable		 5xdqN-4htfB:
18.97
5xdqW-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.
4i5s PUTATIVE HISTIDINE
KINASE COVS
VICK-LIKE PROTEIN

(Streptococcus
mutans) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		4 ILE A 321
LEU A 360
MET A 328
THR A 329
 None
 0.83A 5xdqN-4i5sA:
undetectable
5xdqW-4i5sA:
2.1		 5xdqN-4i5sA:
20.74
5xdqW-4i5sA:
8.31
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.
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 5xdqN-4i9fA:
undetectable
5xdqW-4i9fA:
undetectable		 5xdqN-4i9fA:
20.93
5xdqW-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
 0.84A 5xdqN-4i9fA:
undetectable
5xdqW-4i9fA:
undetectable		 5xdqN-4i9fA:
20.93
5xdqW-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.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		4 ILE B 523
LEU B 532
MET B 368
LEU B 372
 None
 0.84A 5xdqN-4j7bB:
undetectable
5xdqW-4j7bB:
undetectable		 5xdqN-4j7bB:
17.32
5xdqW-4j7bB:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0u LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 ARG A 120
MET A 122
THR A 123
LEU A 126
 None
 0.90A 5xdqN-4k0uA:
undetectable
5xdqW-4k0uA:
undetectable		 5xdqN-4k0uA:
11.32
5xdqW-4k0uA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.88A 5xdqN-4kemA:
undetectable
5xdqW-4kemA:
undetectable		 5xdqN-4kemA:
21.75
5xdqW-4kemA:
9.57