SIMILAR PATTERNS OF AMINO ACIDS FOR 5XDX_J_CHDJ101

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 5xdxA-1floA:
0.7
5xdxJ-1floA:
0.0		 5xdxA-1floA:
21.78
5xdxJ-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.
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
 0.75A 5xdxA-1harA:
undetectable
5xdxJ-1harA:
0.1		 5xdxA-1harA:
18.00
5xdxJ-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.
1i5p PESTICIDIAL CRYSTAL
PROTEIN CRY2AA

(Bacillus
thuringiensis) 		PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
PF09131
(Endotoxin_mid) 		4 ILE A 423
ARG A 405
THR A 395
LEU A 378
 None
 0.93A 5xdxA-1i5pA:
2.9
5xdxJ-1i5pA:
undetectable		 5xdxA-1i5pA:
23.40
5xdxJ-1i5pA:
6.74
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.
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
 0.80A 5xdxA-1jedA:
0.0
5xdxJ-1jedA:
0.0		 5xdxA-1jedA:
21.17
5xdxJ-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
 0.97A 5xdxA-1jfiB:
undetectable
5xdxJ-1jfiB:
1.5		 5xdxA-1jfiB:
14.49
5xdxJ-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.
1k7s FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 ILE N 292
LEU N 288
THR N 180
LEU N 179
 None
 0.90A 5xdxA-1k7sN:
undetectable
5xdxJ-1k7sN:
undetectable		 5xdxA-1k7sN:
20.17
5xdxJ-1k7sN:
12.08
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.
1ko7 HPR
KINASE/PHOSPHATASE

(Staphylococcus
xylosus) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		4 ILE A 179
LEU A 135
ARG A 225
LEU A 249
 None
 0.97A 5xdxA-1ko7A:
undetectable
5xdxJ-1ko7A:
0.0		 5xdxA-1ko7A:
20.61
5xdxJ-1ko7A:
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.
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
 0.87A 5xdxA-1kt8A:
0.0
5xdxJ-1kt8A:
0.0		 5xdxA-1kt8A:
22.71
5xdxJ-1kt8A:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 ARG A 383
MET A 416
THR A 437
LEU A 436
 None
 0.88A 5xdxA-1lrwA:
undetectable
5xdxJ-1lrwA:
undetectable		 5xdxA-1lrwA:
21.34
5xdxJ-1lrwA:
6.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 ILE A 283
LEU A 286
ARG A 268
LEU A 211
 None
 0.94A 5xdxA-1pemA:
0.1
5xdxJ-1pemA:
undetectable		 5xdxA-1pemA:
21.52
5xdxJ-1pemA:
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ILE A 666
MET A 736
THR A 734
LEU A 733
 None
 0.92A 5xdxA-1qf7A:
0.0
5xdxJ-1qf7A:
undetectable		 5xdxA-1qf7A:
21.37
5xdxJ-1qf7A:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A  48
LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.81A 5xdxA-1r6xA:
0.0
5xdxJ-1r6xA:
undetectable		 5xdxA-1r6xA:
21.48
5xdxJ-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.
1uv7 GENERAL SECRETION
PATHWAY PROTEIN M

(Vibrio cholerae) 		PF04612
(T2SSM) 		4 ILE A 143
LEU A 159
ARG A 147
LEU A 120
 None
 0.85A 5xdxA-1uv7A:
undetectable
5xdxJ-1uv7A:
undetectable		 5xdxA-1uv7A:
11.07
5xdxJ-1uv7A:
17.27
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.
1v9v KIAA0561 PROTEIN

(Homo sapiens) 		PF08926
(DUF1908) 		4 ILE A 102
LEU A  99
THR A  23
LEU A  22
 None
 0.95A 5xdxA-1v9vA:
3.6
5xdxJ-1v9vA:
undetectable		 5xdxA-1v9vA:
12.30
5xdxJ-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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		4 ILE A 216
LEU A  10
ARG A 180
LEU A 130
 None
 0.91A 5xdxA-1vlpA:
undetectable
5xdxJ-1vlpA:
undetectable		 5xdxA-1vlpA:
20.47
5xdxJ-1vlpA:
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.95A 5xdxA-1vqtA:
undetectable
5xdxJ-1vqtA:
undetectable		 5xdxA-1vqtA:
17.18
5xdxJ-1vqtA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.98A 5xdxA-1wvrA:
undetectable
5xdxJ-1wvrA:
undetectable		 5xdxA-1wvrA:
15.85
5xdxJ-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
 0.96A 5xdxA-1ycgA:
undetectable
5xdxJ-1ycgA:
undetectable		 5xdxA-1ycgA:
22.05
5xdxJ-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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 ILE A  48
LEU A 144
THR A 148
LEU A 211
 None
 0.98A 5xdxA-1yw6A:
undetectable
5xdxJ-1yw6A:
undetectable		 5xdxA-1yw6A:
20.62
5xdxJ-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.
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
 0.95A 5xdxA-1zypA:
undetectable
5xdxJ-1zypA:
undetectable		 5xdxA-1zypA:
16.98
5xdxJ-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.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		4 ILE A 282
LEU A 265
ARG A 278
LEU A 241
 None
 0.94A 5xdxA-2ap1A:
undetectable
5xdxJ-2ap1A:
undetectable		 5xdxA-2ap1A:
23.39
5xdxJ-2ap1A:
10.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 LEU A 227
TYR A  72
THR A  77
LEU A  80
 None
 0.72A 5xdxA-2b9bA:
undetectable
5xdxJ-2b9bA:
2.4		 5xdxA-2b9bA:
21.63
5xdxJ-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.
2bnx DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 ILE A 232
LEU A 235
ARG A 285
LEU A 308
 None
 0.96A 5xdxA-2bnxA:
undetectable
5xdxJ-2bnxA:
undetectable		 5xdxA-2bnxA:
20.88
5xdxJ-2bnxA:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.91A 5xdxA-2bwgA:
undetectable
5xdxJ-2bwgA:
undetectable		 5xdxA-2bwgA:
21.02
5xdxJ-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
 0.87A 5xdxA-2c4mA:
2.4
5xdxJ-2c4mA:
undetectable		 5xdxA-2c4mA:
19.75
5xdxJ-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
 0.91A 5xdxA-2eg5A:
undetectable
5xdxJ-2eg5A:
undetectable		 5xdxA-2eg5A:
22.14
5xdxJ-2eg5A:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu0 TYROSINE-PROTEIN
KINASE ITK/TSK

(Mus musculus) 		PF00017
(SH2) 		4 ILE A  91
LEU A  90
THR A 103
LEU A 101
 None
 0.93A 5xdxA-2eu0A:
undetectable
5xdxJ-2eu0A:
undetectable		 5xdxA-2eu0A:
11.27
5xdxJ-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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ILE A 618
LEU A 661
ARG A 676
THR A 610
LEU A 609
 None
 1.45A 5xdxA-2fgeA:
1.3
5xdxJ-2fgeA:
undetectable		 5xdxA-2fgeA:
18.66
5xdxJ-2fgeA:
6.46
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.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 LEU A 109
MET A 164
THR A 165
LEU A 168
 None
 0.82A 5xdxA-2hnzA:
2.1
5xdxJ-2hnzA:
undetectable		 5xdxA-2hnzA:
19.77
5xdxJ-2hnzA:
6.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 ILE A 220
ARG A 297
MET A 314
THR A 315
 None
 0.96A 5xdxA-2jlsA:
undetectable
5xdxJ-2jlsA:
undetectable		 5xdxA-2jlsA:
21.54
5xdxJ-2jlsA:
8.26
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.
2jnu REGULATOR OF
G-PROTEIN SIGNALING
14

(Homo sapiens) 		PF00615
(RGS) 		4 ILE A 109
LEU A 112
THR A  29
LEU A  32
 None
 0.93A 5xdxA-2jnuA:
1.8
5xdxJ-2jnuA:
undetectable		 5xdxA-2jnuA:
16.82
5xdxJ-2jnuA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbq HARMONIN

(Homo sapiens) 		no annotation 4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.85A 5xdxA-2kbqA:
undetectable
5xdxJ-2kbqA:
undetectable		 5xdxA-2kbqA:
8.84
5xdxJ-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
 0.75A 5xdxA-2la7A:
undetectable
5xdxJ-2la7A:
undetectable		 5xdxA-2la7A:
14.14
5xdxJ-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.
2m6k FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 ILE A 142
LEU A 117
THR A  38
LEU A  39
 None
 0.96A 5xdxA-2m6kA:
undetectable
5xdxJ-2m6kA:
undetectable		 5xdxA-2m6kA:
18.83
5xdxJ-2m6kA:
10.58
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.
2p0d RHO
GTPASE-ACTIVATING
PROTEIN 9

(Homo sapiens) 		PF00169
(PH) 		4 ILE A 405
LEU A 390
THR A 353
LEU A 352
 None
 0.76A 5xdxA-2p0dA:
undetectable
5xdxJ-2p0dA:
undetectable		 5xdxA-2p0dA:
12.67
5xdxJ-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
 0.76A 5xdxA-2p3gX:
1.3
5xdxJ-2p3gX:
undetectable		 5xdxA-2p3gX:
19.81
5xdxJ-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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 4 ILE A 213
LEU A 190
TYR A  11
THR A 244
 None
 0.98A 5xdxA-2p4oA:
undetectable
5xdxJ-2p4oA:
undetectable		 5xdxA-2p4oA:
20.92
5xdxJ-2p4oA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjw UNCHARACTERIZED
PROTEIN XCC1541

(Xanthomonas
campestris) 		no annotation 4 ILE A 121
LEU A  99
THR A 106
LEU A 114
 None
 0.92A 5xdxA-2qjwA:
undetectable
5xdxJ-2qjwA:
undetectable		 5xdxA-2qjwA:
16.20
5xdxJ-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.
2qq1 MOLYBDENUM COFACTOR
BIOSYNTHESIS MOG

(Aquifex
aeolicus) 		PF00994
(MoCF_biosynth) 		4 ILE A   8
LEU A  71
THR A  75
LEU A 134
 None
 0.96A 5xdxA-2qq1A:
undetectable
5xdxJ-2qq1A:
undetectable		 5xdxA-2qq1A:
14.76
5xdxJ-2qq1A:
23.19
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.
2rcb GLUTAMATE [NMDA]
RECEPTOR SUBUNIT 3B

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 LEU A  74
TYR A 271
ARG A 270
LEU A 264
 None
 0.98A 5xdxA-2rcbA:
undetectable
5xdxJ-2rcbA:
undetectable		 5xdxA-2rcbA:
21.58
5xdxJ-2rcbA:
11.64
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.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		4 ILE A 102
MET A 202
THR A 203
LEU A 208
 None
 0.98A 5xdxA-2whkA:
undetectable
5xdxJ-2whkA:
undetectable		 5xdxA-2whkA:
21.47
5xdxJ-2whkA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 ILE A 311
LEU A 305
ARG A 282
LEU A 275
 None
 0.84A 5xdxA-2x7jA:
undetectable
5xdxJ-2x7jA:
undetectable		 5xdxA-2x7jA:
23.17
5xdxJ-2x7jA:
7.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 0.88A 5xdxA-2xe4A:
undetectable
5xdxJ-2xe4A:
undetectable		 5xdxA-2xe4A:
19.95
5xdxJ-2xe4A:
6.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 5xdxA-2y24A:
undetectable
5xdxJ-2y24A:
undetectable		 5xdxA-2y24A:
22.63
5xdxJ-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
 0.38A 5xdxA-2y69J:
undetectable
5xdxJ-2y69J:
8.0		 5xdxA-2y69J:
10.31
5xdxJ-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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		4 LEU A  61
ARG A  36
THR A  34
LEU A  33
 None
 0.96A 5xdxA-2ybqA:
undetectable
5xdxJ-2ybqA:
undetectable		 5xdxA-2ybqA:
21.48
5xdxJ-2ybqA:
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.
2ysx SIGNALING INOSITOL
POLYPHOSPHATE
PHOSPHATASE SHIP II

(Homo sapiens) 		PF00017
(SH2) 		4 ILE A  90
LEU A  89
THR A 102
LEU A 100
 None
 0.98A 5xdxA-2ysxA:
undetectable
5xdxJ-2ysxA:
undetectable		 5xdxA-2ysxA:
11.50
5xdxJ-2ysxA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		4 ILE A 164
LEU A 165
THR A 144
LEU A 143
 None
 0.93A 5xdxA-2yvtA:
undetectable
5xdxJ-2yvtA:
undetectable		 5xdxA-2yvtA:
18.01
5xdxJ-2yvtA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z17 PLECKSTRIN HOMOLOGY
SEC7 AND COILED-COIL
DOMAINS-BINDING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  33
LEU A  72
ARG A  93
LEU A  99
 None
 0.96A 5xdxA-2z17A:
undetectable
5xdxJ-2z17A:
undetectable		 5xdxA-2z17A:
11.11
5xdxJ-2z17A:
27.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 ILE A 424
MET A 475
THR A 476
LEU A 479
 None
 0.98A 5xdxA-2ziuA:
undetectable
5xdxJ-2ziuA:
undetectable		 5xdxA-2ziuA:
18.55
5xdxJ-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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.80A 5xdxA-2ziuA:
undetectable
5xdxJ-2ziuA:
undetectable		 5xdxA-2ziuA:
18.55
5xdxJ-2ziuA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 230
MET A 177
THR A 176
LEU A 173
 None
 0.92A 5xdxA-2zsgA:
undetectable
5xdxJ-2zsgA:
undetectable		 5xdxA-2zsgA:
20.79
5xdxJ-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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 424
LEU A 162
ARG A 493
LEU A 114
 None
 0.95A 5xdxA-3ak5A:
undetectable
5xdxJ-3ak5A:
undetectable		 5xdxA-3ak5A:
20.80
5xdxJ-3ak5A:
5.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayn RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
 0.98A 5xdxA-3aynA:
6.8
5xdxJ-3aynA:
undetectable		 5xdxA-3aynA:
20.40
5xdxJ-3aynA:
6.92
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.92A 5xdxA-3bn1A:
undetectable
5xdxJ-3bn1A:
undetectable		 5xdxA-3bn1A:
21.12
5xdxJ-3bn1A:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9b VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 75

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 ILE A  80
LEU A  62
ARG A  73
LEU A 200
 None
 0.98A 5xdxA-3c9bA:
undetectable
5xdxJ-3c9bA:
undetectable		 5xdxA-3c9bA:
16.41
5xdxJ-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)
 0.91A 5xdxA-3ck6A:
undetectable
5xdxJ-3ck6A:
undetectable		 5xdxA-3ck6A:
17.82
5xdxJ-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.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		4 ILE A 105
LEU A 120
THR A  97
LEU A  96
 None
 0.90A 5xdxA-3dkaA:
undetectable
5xdxJ-3dkaA:
undetectable		 5xdxA-3dkaA:
13.42
5xdxJ-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
 0.80A 5xdxA-3du1X:
undetectable
5xdxJ-3du1X:
undetectable		 5xdxA-3du1X:
17.83
5xdxJ-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 5xdxA-3e7fA:
undetectable
5xdxJ-3e7fA:
undetectable		 5xdxA-3e7fA:
19.65
5xdxJ-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.
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
 0.91A 5xdxA-3fg4A:
undetectable
5xdxJ-3fg4A:
undetectable		 5xdxA-3fg4A:
20.56
5xdxJ-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
 0.95A 5xdxA-3fssA:
undetectable
5xdxJ-3fssA:
undetectable		 5xdxA-3fssA:
19.04
5xdxJ-3fssA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.90A 5xdxA-3gjuA:
undetectable
5xdxJ-3gjuA:
undetectable		 5xdxA-3gjuA:
22.26
5xdxJ-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.
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
 0.77A 5xdxA-3h5tA:
undetectable
5xdxJ-3h5tA:
undetectable		 5xdxA-3h5tA:
21.02
5xdxJ-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
 0.90A 5xdxA-3hn5A:
undetectable
5xdxJ-3hn5A:
undetectable		 5xdxA-3hn5A:
17.12
5xdxJ-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
 0.93A 5xdxA-3hveA:
undetectable
5xdxJ-3hveA:
undetectable		 5xdxA-3hveA:
17.61
5xdxJ-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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 ILE X 989
MET X 745
THR X 744
LEU X 743
 None
 0.95A 5xdxA-3jb9X:
undetectable
5xdxJ-3jb9X:
undetectable		 5xdxA-3jb9X:
16.83
5xdxJ-3jb9X:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 ILE A2353
LEU A2324
ARG A2348
LEU A2299
 None
 0.98A 5xdxA-3jbzA:
3.8
5xdxJ-3jbzA:
undetectable		 5xdxA-3jbzA:
17.21
5xdxJ-3jbzA:
4.40
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.90A 5xdxA-3k13A:
undetectable
5xdxJ-3k13A:
undetectable		 5xdxA-3k13A:
20.20
5xdxJ-3k13A:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1r HARMONIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  50
LEU A  58
TYR A  74
LEU A  30
 None
 0.90A 5xdxA-3k1rA:
undetectable
5xdxJ-3k1rA:
undetectable		 5xdxA-3k1rA:
14.45
5xdxJ-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
 0.97A 5xdxA-3kfuF:
undetectable
5xdxJ-3kfuF:
undetectable		 5xdxA-3kfuF:
18.69
5xdxJ-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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 ILE A 101
MET A 128
THR A 157
LEU A 156
 None
None
GOL  A 306 (-4.7A)
None
 0.89A 5xdxA-3kl7A:
undetectable
5xdxJ-3kl7A:
undetectable		 5xdxA-3kl7A:
16.47
5xdxJ-3kl7A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.94A 5xdxA-3kyjB:
undetectable
5xdxJ-3kyjB:
undetectable		 5xdxA-3kyjB:
15.09
5xdxJ-3kyjB:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ILE A 104
LEU A  99
ARG A  83
THR A  86
 None
 0.90A 5xdxA-3l2nA:
undetectable
5xdxJ-3l2nA:
undetectable		 5xdxA-3l2nA:
21.32
5xdxJ-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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		4 LEU A  34
ARG A  20
MET A  18
LEU A  14
 None
 0.94A 5xdxA-3mt1A:
undetectable
5xdxJ-3mt1A:
undetectable		 5xdxA-3mt1A:
21.20
5xdxJ-3mt1A:
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.
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 5xdxA-3muuA:
undetectable
5xdxJ-3muuA:
undetectable		 5xdxA-3muuA:
21.45
5xdxJ-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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 373
LEU A 249
ARG A 245
LEU A 316
 None
 0.88A 5xdxA-3ng9A:
undetectable
5xdxJ-3ng9A:
undetectable		 5xdxA-3ng9A:
21.77
5xdxJ-3ng9A:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nws CELL DIVISION
CONTROL PROTEIN 13

(Saccharomyces
cerevisiae) 		PF16853
(CDC13_N) 		4 ILE A  89
ARG A 116
THR A  42
LEU A  41
 None
 0.93A 5xdxA-3nwsA:
undetectable
5xdxJ-3nwsA:
undetectable		 5xdxA-3nwsA:
15.67
5xdxJ-3nwsA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 229
LEU A 232
TYR A 212
ARG A 215
 None
 0.97A 5xdxA-3nzgA:
undetectable
5xdxJ-3nzgA:
undetectable		 5xdxA-3nzgA:
20.90
5xdxJ-3nzgA:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.97A 5xdxA-3p8cB:
3.6
5xdxJ-3p8cB:
undetectable		 5xdxA-3p8cB:
18.35
5xdxJ-3p8cB:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 ILE A 236
LEU A 240
THR A 270
LEU A 271
 None
 0.78A 5xdxA-3pf2A:
undetectable
5xdxJ-3pf2A:
undetectable		 5xdxA-3pf2A:
18.65
5xdxJ-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.
3pju CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL) 		4 ILE A 569
LEU A 572
ARG A 605
LEU A 614
 None
 0.91A 5xdxA-3pjuA:
undetectable
5xdxJ-3pjuA:
undetectable		 5xdxA-3pjuA:
17.23
5xdxJ-3pjuA:
12.27
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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 ILE A 375
LEU A 250
ARG A 246
LEU A 318
 None
 0.92A 5xdxA-3ra2A:
undetectable
5xdxJ-3ra2A:
undetectable		 5xdxA-3ra2A:
23.22
5xdxJ-3ra2A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  93
LEU A  90
THR A   7
LEU A   6
 None
 0.70A 5xdxA-3rr1A:
undetectable
5xdxJ-3rr1A:
undetectable		 5xdxA-3rr1A:
22.10
5xdxJ-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
 0.93A 5xdxA-3se7A:
undetectable
5xdxJ-3se7A:
undetectable		 5xdxA-3se7A:
21.97
5xdxJ-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.
3sto SERINE PROTEASE
INHIBITOR

(Schistosoma
haematobium) 		PF00079
(Serpin) 		4 LEU A  47
MET A 392
THR A 391
LEU A 390
 None
 0.98A 5xdxA-3stoA:
undetectable
5xdxJ-3stoA:
undetectable		 5xdxA-3stoA:
20.56
5xdxJ-3stoA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		4 ILE A  40
LEU A  60
THR A  35
LEU A  34
 None
 0.93A 5xdxA-3sutA:
undetectable
5xdxJ-3sutA:
undetectable		 5xdxA-3sutA:
23.64
5xdxJ-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
 0.91A 5xdxA-3t6qA:
undetectable
5xdxJ-3t6qA:
undetectable		 5xdxA-3t6qA:
19.07
5xdxJ-3t6qA:
7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.86A 5xdxA-3u15A:
undetectable
5xdxJ-3u15A:
undetectable		 5xdxA-3u15A:
11.22
5xdxJ-3u15A:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 5xdxA-3ux1A:
undetectable
5xdxJ-3ux1A:
undetectable		 5xdxA-3ux1A:
22.87
5xdxJ-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.
3v78 PROBABLE
TRANSCRIPTIONAL
REGULATORY PROTEIN
(PROBABLY
DEOR-FAMILY)

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		4 LEU A  32
ARG A  25
THR A 110
LEU A 114
 None
 0.97A 5xdxA-3v78A:
undetectable
5xdxJ-3v78A:
undetectable		 5xdxA-3v78A:
18.24
5xdxJ-3v78A:
13.94
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.
3v85 CYTH-LIKE
PHOSPHATASE

(Arabidopsis
thaliana) 		PF01928
(CYTH) 		4 ILE A 191
LEU A 186
THR A  23
LEU A  22
 None
 0.88A 5xdxA-3v85A:
undetectable
5xdxJ-3v85A:
undetectable		 5xdxA-3v85A:
17.05
5xdxJ-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
 0.84A 5xdxA-3wa8A:
undetectable
5xdxJ-3wa8A:
undetectable		 5xdxA-3wa8A:
13.36
5xdxJ-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
 0.87A 5xdxA-3wibA:
undetectable
5xdxJ-3wibA:
undetectable		 5xdxA-3wibA:
20.31
5xdxJ-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
 0.77A 5xdxA-3zqjA:
undetectable
5xdxJ-3zqjA:
undetectable		 5xdxA-3zqjA:
18.59
5xdxJ-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.
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
 0.93A 5xdxA-4b4oA:
undetectable
5xdxJ-4b4oA:
undetectable		 5xdxA-4b4oA:
22.69
5xdxJ-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 5xdxA-4b8cD:
undetectable
5xdxJ-4b8cD:
undetectable		 5xdxA-4b8cD:
21.05
5xdxJ-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.
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
 0.87A 5xdxA-4fmzA:
undetectable
5xdxJ-4fmzA:
undetectable		 5xdxA-4fmzA:
20.75
5xdxJ-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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		4 ILE A 216
ARG A 227
MET A 229
THR A 230
 None
 0.98A 5xdxA-4fx5A:
2.6
5xdxJ-4fx5A:
undetectable		 5xdxA-4fx5A:
21.46
5xdxJ-4fx5A:
8.58
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.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 ILE A 285
ARG A 276
THR A 274
LEU A 273
 None
 0.84A 5xdxA-4gfjA:
2.5
5xdxJ-4gfjA:
undetectable		 5xdxA-4gfjA:
20.06
5xdxJ-4gfjA:
5.76