SIMILAR PATTERNS OF AMINO ACIDS FOR 2EIN_W_CHDW1060

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
 1.06A 2einN-1floA:
0.0
2einW-1floA:
0.0		 2einN-1floA:
21.78
2einW-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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.99A 2einN-1khcA:
undetectable
2einW-1khcA:
undetectable		 2einN-1khcA:
13.81
2einW-1khcA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 ILE A 332
MET A 293
THR A 292
LEU A 235
 None
 0.80A 2einN-1kt8A:
0.0
2einW-1kt8A:
0.0		 2einN-1kt8A:
22.71
2einW-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
 0.93A 2einN-1lrwA:
undetectable
2einW-1lrwA:
0.0		 2einN-1lrwA:
21.34
2einW-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.
1mv5 MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Lactococcus
lactis) 		PF00005
(ABC_tran) 		4 ILE A 402
ARG A 530
THR A 532
LEU A 533
 None
 0.97A 2einN-1mv5A:
0.0
2einW-1mv5A:
0.0		 2einN-1mv5A:
19.88
2einW-1mv5A:
16.16
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A  65
TYR A 148
THR A 166
LEU A 169
 None
 1.00A 2einN-1or4A:
0.0
2einW-1or4A:
undetectable		 2einN-1or4A:
14.76
2einW-1or4A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 2einN-1qf7A:
0.0
2einW-1qf7A:
0.0		 2einN-1qf7A:
21.37
2einW-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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.84A 2einN-1vqtA:
undetectable
2einW-1vqtA:
0.0		 2einN-1vqtA:
17.18
2einW-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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.92A 2einN-2bwgA:
0.0
2einW-2bwgA:
undetectable		 2einN-2bwgA:
21.02
2einW-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.
2gjv PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF09646
(Gp37) 		4 ILE A   7
ARG A  67
MET A 124
LEU A 103
 None
 1.02A 2einN-2gjvA:
undetectable
2einW-2gjvA:
undetectable		 2einN-2gjvA:
16.31
2einW-2gjvA:
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.
2idc ANTI-SILENCING
PROTEIN 1 AND
HISTONE H3 CHIMERA

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE A   9
ARG A 108
THR A  43
LEU A  42
 None
 0.93A 2einN-2idcA:
undetectable
2einW-2idcA:
undetectable		 2einN-2idcA:
13.97
2einW-2idcA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		4 ILE A 338
TYR A  55
ARG A  54
LEU A  47
 None
 0.88A 2einN-2nzxA:
0.0
2einW-2nzxA:
undetectable		 2einN-2nzxA:
20.86
2einW-2nzxA:
10.91
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.
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
 0.77A 2einN-2p3gX:
0.0
2einW-2p3gX:
undetectable		 2einN-2p3gX:
19.81
2einW-2p3gX:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q24 PUTATIVE TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 ILE A 146
ARG A 151
MET A 155
LEU A 133
 None
 0.97A 2einN-2q24A:
undetectable
2einW-2q24A:
undetectable		 2einN-2q24A:
17.09
2einW-2q24A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 2einN-2whkA:
undetectable
2einW-2whkA:
undetectable		 2einN-2whkA:
21.47
2einW-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.
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
 0.95A 2einN-2xe4A:
undetectable
2einW-2xe4A:
undetectable		 2einN-2xe4A:
19.95
2einW-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.
2xfb E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF00943
(Alpha_E2_glycop) 		4 ILE B 165
ARG B 150
THR B 190
LEU B  98
 None
 1.02A 2einN-2xfbB:
undetectable
2einW-2xfbB:
undetectable		 2einN-2xfbB:
20.65
2einW-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.
2xyk 2-ON-2 HEMOGLOBIN

(Agrobacterium
tumefaciens) 		PF01152
(Bac_globin) 		4 ILE A 105
ARG A  19
THR A  58
LEU A  61
 None
 1.02A 2einN-2xykA:
undetectable
2einW-2xykA:
undetectable		 2einN-2xykA:
12.57
2einW-2xykA:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.33A 2einN-2y69J:
undetectable
2einW-2y69J:
7.8		 2einN-2y69J:
10.31
2einW-2y69J:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 ILE A 420
MET A 438
THR A 416
LEU A 415
 None
 1.01A 2einN-2z7xA:
undetectable
2einW-2z7xA:
undetectable		 2einN-2z7xA:
20.40
2einW-2z7xA:
12.42
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.
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
 0.94A 2einN-2z81A:
undetectable
2einW-2z81A:
undetectable		 2einN-2z81A:
19.70
2einW-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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A 115
ARG A  63
THR A  46
LEU A  47
 None
 1.01A 2einN-2zgkA:
undetectable
2einW-2zgkA:
undetectable		 2einN-2zgkA:
15.56
2einW-2zgkA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.69A 2einN-2ziuA:
undetectable
2einW-2ziuA:
undetectable		 2einN-2ziuA:
18.55
2einW-2ziuA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 230
MET A 177
THR A 176
LEU A 173
 None
 0.93A 2einN-2zsgA:
undetectable
2einW-2zsgA:
undetectable		 2einN-2zsgA:
20.79
2einW-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.
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 2einN-3bn1A:
undetectable
2einW-3bn1A:
undetectable		 2einN-3bn1A:
21.12
2einW-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.
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
 0.66A 2einN-3ctzA:
undetectable
2einW-3ctzA:
undetectable		 2einN-3ctzA:
21.45
2einW-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.
3d3m EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2) 		4 ILE A 861
MET A 773
THR A 774
LEU A 777
 None
 0.85A 2einN-3d3mA:
undetectable
2einW-3d3mA:
undetectable		 2einN-3d3mA:
15.54
2einW-3d3mA:
17.20
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		4 ILE A 417
MET A 363
THR A 362
LEU A 359
 None
 0.98A 2einN-3fcrA:
undetectable
2einW-3fcrA:
undetectable		 2einN-3fcrA:
22.22
2einW-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
 0.85A 2einN-3fg4A:
undetectable
2einW-3fg4A:
undetectable		 2einN-3fg4A:
20.56
2einW-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
 0.92A 2einN-3fssA:
undetectable
2einW-3fssA:
undetectable		 2einN-3fssA:
19.04
2einW-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
 0.92A 2einN-3gjuA:
undetectable
2einW-3gjuA:
undetectable		 2einN-3gjuA:
22.26
2einW-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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.78A 2einN-3hn5A:
undetectable
2einW-3hn5A:
undetectable		 2einN-3hn5A:
17.12
2einW-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.
3jac PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		4 ILE A2403
ARG A2318
THR A2316
LEU A2344
 None
 0.99A 2einN-3jacA:
2.0
2einW-3jacA:
1.7		 2einN-3jacA:
5.15
2einW-3jacA:
7.90
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 ILE B 544
ARG B 509
MET B 490
LEU B 488
 None
 0.94A 2einN-3jb9B:
undetectable
2einW-3jb9B:
undetectable		 2einN-3jb9B:
17.37
2einW-3jb9B:
5.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 2einN-3jb9X:
undetectable
2einW-3jb9X:
1.1		 2einN-3jb9X:
16.83
2einW-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.
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
 0.73A 2einN-3k13A:
undetectable
2einW-3k13A:
undetectable		 2einN-3k13A:
20.20
2einW-3k13A:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.92A 2einN-3kyjB:
undetectable
2einW-3kyjB:
undetectable		 2einN-3kyjB:
15.09
2einW-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.
3mem PUTATIVE SIGNAL
TRANSDUCTION PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF04073
(tRNA_edit)
PF08668
(HDOD) 		4 ILE A 445
ARG A 406
THR A 404
LEU A 410
 None
 1.00A 2einN-3memA:
undetectable
2einW-3memA:
undetectable		 2einN-3memA:
20.84
2einW-3memA:
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.
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
 0.93A 2einN-3mopA:
undetectable
2einW-3mopA:
undetectable		 2einN-3mopA:
14.04
2einW-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
 0.68A 2einN-3muuA:
undetectable
2einW-3muuA:
undetectable		 2einN-3muuA:
21.45
2einW-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
 0.99A 2einN-3n40P:
undetectable
2einW-3n40P:
undetectable		 2einN-3n40P:
21.28
2einW-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.
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
 0.88A 2einN-3nwsA:
undetectable
2einW-3nwsA:
undetectable		 2einN-3nwsA:
15.67
2einW-3nwsA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 239
TYR A 175
ARG A 174
LEU A 167
 None
None
None
NAD  A 701 (-4.3A)
 0.94A 2einN-3om9A:
undetectable
2einW-3om9A:
undetectable		 2einN-3om9A:
20.12
2einW-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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ARG A 181
MET A 187
THR A 188
LEU A 191
 None
 0.99A 2einN-3qp9A:
undetectable
2einW-3qp9A:
undetectable		 2einN-3qp9A:
22.76
2einW-3qp9A:
7.05
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.
3qwm IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF16453
(IQ_SEC7_PH) 		4 ILE A 826
ARG A 836
THR A 840
LEU A 843
 None
 1.01A 2einN-3qwmA:
undetectable
2einW-3qwmA:
undetectable		 2einN-3qwmA:
13.44
2einW-3qwmA:
20.66
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.
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
 0.94A 2einN-3se7A:
undetectable
2einW-3se7A:
undetectable		 2einN-3se7A:
21.97
2einW-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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 231
MET A 335
THR A 336
LEU A 339
 None
 0.95A 2einN-3sheA:
2.5
2einW-3sheA:
undetectable		 2einN-3sheA:
19.73
2einW-3sheA:
13.65
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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.76A 2einN-3u15A:
undetectable
2einW-3u15A:
undetectable		 2einN-3u15A:
11.22
2einW-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.
3w0f ENDONUCLEASE 8-LIKE
3

(Mus musculus) 		PF06831
(H2TH) 		4 ILE A 105
TYR A  74
MET A  86
LEU A  84
 IOD  A 305 ( 4.3A)
None
None
None
 0.98A 2einN-3w0fA:
undetectable
2einW-3w0fA:
undetectable		 2einN-3w0fA:
20.08
2einW-3w0fA:
12.46
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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		4 ILE A  80
TYR A  61
ARG A  93
MET A  65
 None
 1.03A 2einN-3zs7A:
undetectable
2einW-3zs7A:
undetectable		 2einN-3zs7A:
18.92
2einW-3zs7A:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.88A 2einN-4a2qA:
undetectable
2einW-4a2qA:
undetectable		 2einN-4a2qA:
18.94
2einW-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
 0.92A 2einN-4b4oA:
undetectable
2einW-4b4oA:
undetectable		 2einN-4b4oA:
22.69
2einW-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.
4c0a IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01369
(Sec7)
PF16453
(IQ_SEC7_PH) 		4 ILE A 718
ARG A 728
THR A 732
LEU A 735
 None
 0.93A 2einN-4c0aA:
undetectable
2einW-4c0aA:
undetectable		 2einN-4c0aA:
21.28
2einW-4c0aA:
10.45
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.
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
 0.91A 2einN-4gfjA:
4.1
2einW-4gfjA:
undetectable		 2einN-4gfjA:
20.06
2einW-4gfjA:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 225
MET A 231
THR A 232
LEU A 234
 None
 0.98A 2einN-4hq1A:
undetectable
2einW-4hq1A:
undetectable		 2einN-4hq1A:
22.32
2einW-4hq1A:
7.68
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.
4k0u LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 ARG A 120
MET A 122
THR A 123
LEU A 126
 None
 0.97A 2einN-4k0uA:
undetectable
2einW-4k0uA:
undetectable		 2einN-4k0uA:
11.32
2einW-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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 296
MET A 301
THR A 302
LEU A 305
 None
 0.97A 2einN-4k3bA:
undetectable
2einW-4k3bA:
undetectable		 2einN-4k3bA:
19.36
2einW-4k3bA:
5.95
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ARG A 143
MET A 190
THR A 189
LEU A 188
 None
 0.93A 2einN-4kxbA:
undetectable
2einW-4kxbA:
undetectable		 2einN-4kxbA:
20.00
2einW-4kxbA:
5.38
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ILE A 280
ARG A 294
THR A 342
LEU A 343
 None
None
ZN  A 907 ( 4.8A)
None
 1.00A 2einN-4mnaA:
undetectable
2einW-4mnaA:
undetectable		 2einN-4mnaA:
22.41
2einW-4mnaA:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.98A 2einN-4n2xA:
1.6
2einW-4n2xA:
undetectable		 2einN-4n2xA:
20.46
2einW-4n2xA:
11.99
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.78A 2einN-4oqfA:
undetectable
2einW-4oqfA:
undetectable		 2einN-4oqfA:
20.15
2einW-4oqfA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdb 30S RIBOSOMAL
PROTEIN S8

(Bacillus
anthracis) 		PF00410
(Ribosomal_S8) 		4 ILE A  69
ARG A  36
THR A  35
LEU A 100
 None
 0.89A 2einN-4pdbA:
undetectable
2einW-4pdbA:
undetectable		 2einN-4pdbA:
14.48
2einW-4pdbA:
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.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		4 ILE A 336
ARG A 292
THR A 296
LEU A 299
 None
 0.95A 2einN-4raeA:
undetectable
2einW-4raeA:
undetectable		 2einN-4raeA:
20.89
2einW-4raeA:
9.64
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.
4rax PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		4 ILE A2403
ARG A2318
THR A2316
LEU A2344
 None
 0.99A 2einN-4raxA:
undetectable
2einW-4raxA:
undetectable		 2einN-4raxA:
17.03
2einW-4raxA:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ILE A 338
ARG A 307
MET A  40
THR A  39
 None
GLA  A 503 (-2.8A)
None
GLA  A 502 ( 3.8A)
 0.91A 2einN-4rk9A:
undetectable
2einW-4rk9A:
undetectable		 2einN-4rk9A:
21.64
2einW-4rk9A:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.81A 2einN-4rrpM:
undetectable
2einW-4rrpM:
undetectable		 2einN-4rrpM:
13.87
2einW-4rrpM:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		4 ILE A 239
MET A 201
THR A 202
LEU A 205
 None
 0.95A 2einN-4rweA:
undetectable
2einW-4rweA:
undetectable		 2einN-4rweA:
20.54
2einW-4rweA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.91A 2einN-4rwtC:
undetectable
2einW-4rwtC:
undetectable		 2einN-4rwtC:
19.44
2einW-4rwtC:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 ILE A 314
ARG A 133
MET A 126
LEU A  76
 None
BOG  A 405 (-3.6A)
None
None
 1.00A 2einN-4ww3A:
2.7
2einW-4ww3A:
undetectable		 2einN-4ww3A:
20.70
2einW-4ww3A:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ILE A 181
TYR A 169
MET A 166
LEU A 129
 None
 0.99A 2einN-4wzhA:
undetectable
2einW-4wzhA:
undetectable		 2einN-4wzhA:
21.76
2einW-4wzhA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ILE A 259
MET A 368
THR A 367
LEU A 319
 None
 0.95A 2einN-4xkqA:
undetectable
2einW-4xkqA:
undetectable		 2einN-4xkqA:
20.93
2einW-4xkqA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		4 TYR D 149
ARG D  98
THR D 101
LEU D 103
 None
 0.92A 2einN-4yb9D:
undetectable
2einW-4yb9D:
undetectable		 2einN-4yb9D:
24.01
2einW-4yb9D:
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.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		4 ILE A  71
MET A 203
THR A 202
LEU A 200
 None
 1.01A 2einN-4ywcA:
undetectable
2einW-4ywcA:
undetectable		 2einN-4ywcA:
17.12
2einW-4ywcA:
13.06
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.
4zgz ANTIZYME INHIBITOR 1

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ILE A 364
MET A 384
THR A 282
LEU A 283
 None
 1.03A 2einN-4zgzA:
undetectable
2einW-4zgzA:
undetectable		 2einN-4zgzA:
22.26
2einW-4zgzA:
9.43
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.41A 2einN-4zi6A:
undetectable
2einW-4zi6A:
undetectable		 2einN-4zi6A:
22.57
2einW-4zi6A:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zo0 PROTEIN REP68

(Adeno-associated
dependoparvovirus
A) 		PF08724
(Rep_N) 		4 ILE A   9
ARG A 119
THR A  65
LEU A  64
 None
 0.92A 2einN-4zo0A:
undetectable
2einW-4zo0A:
undetectable		 2einN-4zo0A:
16.50
2einW-4zo0A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ILE A 653
MET A 344
THR A 341
LEU A 340
 None
 1.01A 2einN-5a0zA:
undetectable
2einW-5a0zA:
undetectable		 2einN-5a0zA:
21.19
2einW-5a0zA:
5.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3c CBBQ/NIRQ/NORQ
DOMAIN PROTEIN

(Halothiobacillus
neapolitanus) 		PF07728
(AAA_5)
PF08406
(CbbQ_C) 		4 ILE A 108
MET A  70
THR A  71
LEU A  75
 None
 1.00A 2einN-5c3cA:
2.4
2einW-5c3cA:
undetectable		 2einN-5c3cA:
18.92
2einW-5c3cA:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 ARG A 276
MET A 279
THR A 280
LEU A 283
 None
 0.88A 2einN-5ezrA:
2.4
2einW-5ezrA:
undetectable		 2einN-5ezrA:
20.35
2einW-5ezrA:
6.28
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.
5f3y UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4) 		4 ILE A1544
MET A1434
THR A1452
LEU A1453
 None
 0.96A 2einN-5f3yA:
2.8
2einW-5f3yA:
undetectable		 2einN-5f3yA:
20.92
2einW-5f3yA:
7.65
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		4 ILE A4801
TYR A4762
MET A4765
THR A4767
 None
 0.95A 2einN-5f59A:
undetectable
2einW-5f59A:
undetectable		 2einN-5f59A:
13.20
2einW-5f59A:
14.38
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.
5iig VACUOLAR TRANSPORTER
CHAPERONE 4

(Saccharomyces
cerevisiae) 		PF03105
(SPX)
PF09359
(VTC) 		4 ARG A 356
MET A 382
THR A 381
LEU A 380
 None
 0.86A 2einN-5iigA:
undetectable
2einW-5iigA:
undetectable		 2einN-5iigA:
20.84
2einW-5iigA:
9.17
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia pestis) 		PF04390
(LptE) 		4 ILE B  32
ARG B  56
THR B  54
LEU B  17
 None
 0.99A 2einN-5ixmB:
undetectable
2einW-5ixmB:
undetectable		 2einN-5ixmB:
15.20
2einW-5ixmB:
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.
5m0j SWI5-DEPENDENT HO
EXPRESSION PROTEIN
2,SWI5-DEPENDENT HO
EXPRESSION PROTEIN 3

(Saccharomyces
cerevisiae) 		no annotation 4 ILE D 125
ARG D  49
THR D  53
LEU D  55
 None
 0.98A 2einN-5m0jD:
4.0
2einW-5m0jD:
undetectable		 2einN-5m0jD:
21.41
2einW-5m0jD:
12.37
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 ILE A 717
MET A 775
THR A 776
LEU A 779
 None
 0.98A 2einN-5mqsA:
undetectable
2einW-5mqsA:
undetectable		 2einN-5mqsA:
17.25
2einW-5mqsA:
4.24
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		4 TYR A 392
ARG A 393
MET A 396
THR A 397
 None
 0.83A 2einN-5mwlA:
undetectable
2einW-5mwlA:
undetectable		 2einN-5mwlA:
19.60
2einW-5mwlA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.74A 2einN-5nm7G:
undetectable
2einW-5nm7G:
undetectable		 2einN-5nm7G:
undetectable
2einW-5nm7G:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 4 ILE A 195
MET A 435
THR A 436
LEU A 437
 None
 1.01A 2einN-5npyA:
undetectable
2einW-5npyA:
undetectable		 2einN-5npyA:
20.59
2einW-5npyA:
6.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 4 ILE A 427
MET A 477
THR A 476
LEU A 475
 None
 0.74A 2einN-5ny0A:
undetectable
2einW-5ny0A:
undetectable		 2einN-5ny0A:
undetectable
2einW-5ny0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5j 30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis) 		PF00410
(Ribosomal_S8) 		4 ILE H  46
ARG H  13
THR H  12
LEU H  77
 None
A  A 805 ( 3.8A)
A  A 858 ( 4.2A)
None
 0.89A 2einN-5o5jH:
undetectable
2einW-5o5jH:
undetectable		 2einN-5o5jH:
12.84
2einW-5o5jH:
17.89
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.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 695
MET A 735
THR A 736
LEU A 731
 None
 0.90A 2einN-5td2A:
2.7
2einW-5td2A:
undetectable		 2einN-5td2A:
20.72
2einW-5td2A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uc2 DOMAIN OF UNKNOWN
FUNCTION DUF1849

(Brucella
abortus) 		PF08904
(DUF1849) 		5 TYR A 235
ARG A 236
MET A 252
THR A 251
LEU A 250
 None
 1.41A 2einN-5uc2A:
undetectable
2einW-5uc2A:
undetectable		 2einN-5uc2A:
18.71
2einW-5uc2A:
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		4 ILE A  86
TYR A  77
MET A 295
THR A 294
 None
 0.95A 2einN-5xe0A:
undetectable
2einW-5xe0A:
undetectable		 2einN-5xe0A:
20.98
2einW-5xe0A:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 ILE A 517
ARG A 584
MET A 582
LEU A 577
 None
 1.00A 2einN-5xflA:
5.0
2einW-5xflA:
undetectable		 2einN-5xflA:
undetectable
2einW-5xflA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 4 TYR A  26
MET A  29
THR A  30
LEU A  33
 None
 0.97A 2einN-5xk8A:
undetectable
2einW-5xk8A:
undetectable		 2einN-5xk8A:
undetectable
2einW-5xk8A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 ILE A2403
ARG A2318
THR A2316
LEU A2344
 None
 1.02A 2einN-6bpzA:
undetectable
2einW-6bpzA:
undetectable		 2einN-6bpzA:
undetectable
2einW-6bpzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4q POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A  65
ARG A  24
THR A  19
LEU A  18
 None
 1.00A 2einN-6c4qA:
undetectable
2einW-6c4qA:
undetectable		 2einN-6c4qA:
undetectable
2einW-6c4qA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d8j POLYKETIDE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A  65
ARG A  24
THR A  19
LEU A  18
 None
 1.00A 2einN-6d8jA:
undetectable
2einW-6d8jA:
undetectable		 2einN-6d8jA:
undetectable
2einW-6d8jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 ILE A 895
TYR A 489
ARG A 488
THR A 482
 None
 1.03A 2einN-6fn1A:
0.3
2einW-6fn1A:
undetectable		 2einN-6fn1A:
undetectable
2einW-6fn1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.80A 2einN-6gsaD:
undetectable
2einW-6gsaD:
undetectable		 2einN-6gsaD:
undetectable
2einW-6gsaD:
undetectable