SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYS_W_CHDW101

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ARG A 308
MET A 311
THR A 312
LEU A 315
 None
 0.97A 2dysN-1floA:
0.2
2dysW-1floA:
0.0		 2dysN-1floA:
21.78
2dysW-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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 LEU A  58
ARG A   6
THR A   8
LEU A   9
 None
 1.01A 2dysN-1g8kA:
undetectable
2dysW-1g8kA:
undetectable		 2dysN-1g8kA:
20.91
2dysW-1g8kA:
7.19
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.
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
 0.74A 2dysN-1harA:
undetectable
2dysW-1harA:
0.1		 2dysN-1harA:
18.00
2dysW-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.
1hom ANTENNAPEDIA PROTEIN

(Drosophila
melanogaster) 		PF00046
(Homeobox) 		4 LEU A  38
ARG A  29
THR A  27
LEU A  26
 None
 0.99A 2dysN-1homA:
undetectable
2dysW-1homA:
0.0		 2dysN-1homA:
8.24
2dysW-1homA:
16.42
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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.85A 2dysN-1jedA:
0.0
2dysW-1jedA:
0.0		 2dysN-1jedA:
21.17
2dysW-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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.96A 2dysN-1khcA:
undetectable
2dysW-1khcA:
undetectable		 2dysN-1khcA:
13.81
2dysW-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.
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 2dysN-1lrwA:
undetectable
2dysW-1lrwA:
0.0		 2dysN-1lrwA:
21.34
2dysW-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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 1.07A 2dysN-1oznA:
undetectable
2dysW-1oznA:
0.0		 2dysN-1oznA:
19.64
2dysW-1oznA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  49
ARG A  40
THR A  38
LEU A  37
 None
 0.86A 2dysN-1r6xA:
0.0
2dysW-1r6xA:
0.0		 2dysN-1r6xA:
21.48
2dysW-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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03498
(CDtoxinA) 		4 LEU A 145
ARG A 114
THR A  79
LEU A  80
 None
 0.93A 2dysN-1sr4A:
undetectable
2dysW-1sr4A:
undetectable		 2dysN-1sr4A:
18.06
2dysW-1sr4A:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF13177
(DNA_pol3_delta2) 		4 LEU E  40
MET E 158
THR E 157
LEU E 154
 None
 0.98A 2dysN-1sxjE:
2.6
2dysW-1sxjE:
undetectable		 2dysN-1sxjE:
19.27
2dysW-1sxjE:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9b FUSION GLYCOPROTEIN
F0

(Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly) 		4 LEU A 227
TYR A  72
THR A  77
LEU A  80
 None
 0.68A 2dysN-2b9bA:
0.8
2dysW-2b9bA:
2.5		 2dysN-2b9bA:
21.63
2dysW-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.
2bap DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		no annotation 4 LEU B 234
MET B 225
THR B 224
LEU B 179
 None
 1.02A 2dysN-2bapB:
0.0
2dysW-2bapB:
undetectable		 2dysN-2bapB:
19.02
2dysW-2bapB:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 LEU A 128
TYR A 168
MET A 177
LEU A 181
 None
 0.97A 2dysN-2bx7A:
0.0
2dysW-2bx7A:
undetectable		 2dysN-2bx7A:
19.78
2dysW-2bx7A:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 TYR B 618
ARG B 619
MET B 622
THR B 623
 None
 0.88A 2dysN-2c6wB:
0.0
2dysW-2c6wB:
undetectable		 2dysN-2c6wB:
21.23
2dysW-2c6wB:
8.29
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.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 LEU A 234
MET A 225
THR A 224
LEU A 179
 None
 1.05A 2dysN-2f31A:
undetectable
2dysW-2f31A:
undetectable		 2dysN-2f31A:
17.22
2dysW-2f31A:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 2dysN-2hnzA:
2.2
2dysW-2hnzA:
undetectable		 2dysN-2hnzA:
19.77
2dysW-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.
2igp RETINOBLASTOMA-ASSOC
IATED PROTEIN HEC

(Homo sapiens) 		PF03801
(Ndc80_HEC) 		4 LEU A 185
ARG A  97
THR A 104
LEU A 103
 None
BME  A 269 (-3.2A)
None
None
 0.96A 2dysN-2igpA:
undetectable
2dysW-2igpA:
undetectable		 2dysN-2igpA:
12.50
2dysW-2igpA:
15.38
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.
2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01842
(ACT) 		4 LEU A 370
ARG A 379
THR A 312
LEU A 311
 None
 1.02A 2dysN-2j0wA:
1.8
2dysW-2j0wA:
undetectable		 2dysN-2j0wA:
23.71
2dysW-2j0wA:
9.05
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 LEU A  89
ARG A  28
THR A  31
LEU A  33
 None
 1.03A 2dysN-2j3zA:
undetectable
2dysW-2j3zA:
undetectable		 2dysN-2j3zA:
19.36
2dysW-2j3zA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2la7 UNCHARACTERIZED
PROTEIN

(Paraburkholderia
xenovorans) 		PF03724
(META) 		4 LEU A 112
ARG A 117
THR A 137
LEU A 138
 None
 0.82A 2dysN-2la7A:
undetectable
2dysW-2la7A:
undetectable		 2dysN-2la7A:
14.14
2dysW-2la7A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		4 LEU A 324
ARG A 365
THR A 342
LEU A 341
 None
 1.02A 2dysN-2omvA:
undetectable
2dysW-2omvA:
undetectable		 2dysN-2omvA:
22.56
2dysW-2omvA:
6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		4 LEU A 426
TYR A 592
THR A 579
LEU A 582
 None
 1.03A 2dysN-2pziA:
0.4
2dysW-2pziA:
undetectable		 2dysN-2pziA:
21.85
2dysW-2pziA:
6.88
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 131
ARG A 184
MET A 189
LEU A 191
 None
 0.98A 2dysN-2qo3A:
undetectable
2dysW-2qo3A:
undetectable		 2dysN-2qo3A:
20.35
2dysW-2qo3A:
4.15
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 LEU B 272
MET B 346
THR B 345
LEU B 358
 None
 0.99A 2dysN-2uw1B:
undetectable
2dysW-2uw1B:
undetectable		 2dysN-2uw1B:
20.56
2dysW-2uw1B:
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		4 LEU A 186
TYR A 101
THR A  98
LEU A 176
 None
 0.98A 2dysN-2wokA:
3.1
2dysW-2wokA:
undetectable		 2dysN-2wokA:
21.99
2dysW-2wokA:
7.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 LEU A 309
ARG A 345
THR A 423
LEU A 424
 None
 0.98A 2dysN-2wxzA:
undetectable
2dysW-2wxzA:
undetectable		 2dysN-2wxzA:
22.32
2dysW-2wxzA:
7.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 LEU C 309
ARG C 345
THR C 423
LEU C 424
 None
 0.77A 2dysN-2wy0C:
undetectable
2dysW-2wy0C:
undetectable		 2dysN-2wy0C:
21.21
2dysW-2wy0C:
8.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 LEU A 648
ARG A 596
THR A 587
LEU A 644
 None
 1.06A 2dysN-2x0sA:
undetectable
2dysW-2x0sA:
undetectable		 2dysN-2x0sA:
18.80
2dysW-2x0sA:
4.54
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		4 LEU A 244
ARG A 156
MET A 372
LEU A 226
 None
 1.06A 2dysN-2xxlA:
undetectable
2dysW-2xxlA:
undetectable		 2dysN-2xxlA:
19.17
2dysW-2xxlA:
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.
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
 0.45A 2dysN-2y69J:
undetectable
2dysW-2y69J:
7.9		 2dysN-2y69J:
10.31
2dysW-2y69J:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 428
ARG B 441
THR B 436
LEU B 435
 None
 0.94A 2dysN-2z7xB:
undetectable
2dysW-2z7xB:
undetectable		 2dysN-2z7xB:
23.01
2dysW-2z7xB:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.70A 2dysN-2ziuA:
undetectable
2dysW-2ziuA:
undetectable		 2dysN-2ziuA:
18.55
2dysW-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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 LEU B 433
ARG B 446
THR B 441
LEU B 440
 None
 0.99A 2dysN-3a79B:
undetectable
2dysW-3a79B:
undetectable		 2dysN-3a79B:
20.37
2dysW-3a79B:
7.20
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.
3brc CONSERVED PROTEIN OF
UNKNOWN FUNCTION

(Methanothermobacter
thermautotrophicus) 		PF11576
(DUF3236) 		4 LEU A  96
MET A 145
THR A 146
LEU A 149
 None
 0.97A 2dysN-3brcA:
undetectable
2dysW-3brcA:
undetectable		 2dysN-3brcA:
15.00
2dysW-3brcA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 LEU A 215
ARG A 246
THR A 224
LEU A 223
 None
 1.03A 2dysN-3bz5A:
undetectable
2dysW-3bz5A:
undetectable		 2dysN-3bz5A:
21.45
2dysW-3bz5A:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eg5 PROTEIN DIAPHANOUS
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		4 LEU B 234
MET B 225
THR B 224
LEU B 179
 None
 1.03A 2dysN-3eg5B:
undetectable
2dysW-3eg5B:
undetectable		 2dysN-3eg5B:
19.00
2dysW-3eg5B:
11.71
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.
3gf6 UNCHARACTERIZED
BACTERIAL
LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12956
(DUF3845) 		5 LEU A 216
TYR A  68
MET A 105
THR A 104
LEU A 103
 None
 1.48A 2dysN-3gf6A:
undetectable
2dysW-3gf6A:
undetectable		 2dysN-3gf6A:
19.49
2dysW-3gf6A:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 LEU A  15
ARG A  37
THR A  50
LEU A  51
 None
 0.84A 2dysN-3hi8A:
undetectable
2dysW-3hi8A:
undetectable		 2dysN-3hi8A:
20.53
2dysW-3hi8A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig2 PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Bacteroides
fragilis) 		no annotation 4 TYR A 593
MET A 561
THR A 531
LEU A 530
 None
 1.05A 2dysN-3ig2A:
undetectable
2dysW-3ig2A:
undetectable		 2dysN-3ig2A:
19.33
2dysW-3ig2A:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 LEU A2246
ARG A2317
THR A2321
LEU A2324
 None
 1.01A 2dysN-3jbzA:
undetectable
2dysW-3jbzA:
undetectable		 2dysN-3jbzA:
17.21
2dysW-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
 0.68A 2dysN-3k13A:
undetectable
2dysW-3k13A:
undetectable		 2dysN-3k13A:
20.20
2dysW-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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 172
TYR A 245
ARG A 126
THR A 143
 None
 1.02A 2dysN-3kt4A:
undetectable
2dysW-3kt4A:
undetectable		 2dysN-3kt4A:
19.94
2dysW-3kt4A:
7.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2dysN-3mt1A:
undetectable
2dysW-3mt1A:
undetectable		 2dysN-3mt1A:
21.20
2dysW-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.
3nmz APC VARIANT PROTEIN

(Homo sapiens) 		PF00514
(Arm) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 0.98A 2dysN-3nmzA:
2.7
2dysW-3nmzA:
undetectable		 2dysN-3nmzA:
21.23
2dysW-3nmzA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 LEU A 549
ARG A 565
THR A 563
LEU A 557
 None
 1.05A 2dysN-3ozxA:
undetectable
2dysW-3ozxA:
undetectable		 2dysN-3ozxA:
18.83
2dysW-3ozxA:
6.64
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		4 LEU B 682
ARG B 705
THR B 709
LEU B 712
 None
 0.82A 2dysN-3p8cB:
1.5
2dysW-3p8cB:
undetectable		 2dysN-3p8cB:
18.35
2dysW-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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 LEU A  80
MET A  11
THR A  12
LEU A  15
 None
None
FAD  A 401 (-3.8A)
None
 1.05A 2dysN-3qj4A:
undetectable
2dysW-3qj4A:
undetectable		 2dysN-3qj4A:
19.96
2dysW-3qj4A:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ARG A 181
MET A 187
THR A 188
LEU A 191
 None
 1.05A 2dysN-3qp9A:
undetectable
2dysW-3qp9A:
undetectable		 2dysN-3qp9A:
22.76
2dysW-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.
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
 0.92A 2dysN-3se7A:
undetectable
2dysW-3se7A:
undetectable		 2dysN-3se7A:
21.97
2dysW-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.
3sqi KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		4 LEU A 164
TYR A 206
MET A 202
THR A 201
 None
 1.03A 2dysN-3sqiA:
undetectable
2dysW-3sqiA:
undetectable		 2dysN-3sqiA:
19.72
2dysW-3sqiA:
9.60
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.00A 2dysN-3stoA:
undetectable
2dysW-3stoA:
undetectable		 2dysN-3stoA:
20.56
2dysW-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.
3u67 HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A 205
ARG A 170
THR A 172
LEU A  74
 None
 1.06A 2dysN-3u67A:
undetectable
2dysW-3u67A:
undetectable		 2dysN-3u67A:
18.22
2dysW-3u67A:
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.
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
 0.80A 2dysN-3wa8A:
undetectable
2dysW-3wa8A:
undetectable		 2dysN-3wa8A:
13.36
2dysW-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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 LEU A 676
ARG A 688
THR A 628
LEU A 627
 None
 0.79A 2dysN-3zqjA:
undetectable
2dysW-3zqjA:
undetectable		 2dysN-3zqjA:
18.59
2dysW-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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.32A 2dysN-3zxsA:
undetectable
2dysW-3zxsA:
undetectable		 2dysN-3zxsA:
22.32
2dysW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9l 20.1 ANTI-BTN3A1
ANTIBODY FRAGMENT

(Mus musculus) 		no annotation 4 LEU D 142
ARG D 171
THR D 218
LEU D 217
 None
 0.90A 2dysN-4f9lD:
undetectable
2dysW-4f9lD:
undetectable		 2dysN-4f9lD:
18.81
2dysW-4f9lD:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6q PUTATIVE
UNCHARACTERIZED
PROTEIN

(Kribbella
flavida) 		PF12840
(HTH_20) 		4 LEU A  82
ARG A  78
THR A  36
LEU A  39
 None
 0.99A 2dysN-4g6qA:
undetectable
2dysW-4g6qA:
undetectable		 2dysN-4g6qA:
16.97
2dysW-4g6qA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0u LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 ARG A 120
MET A 122
THR A 123
LEU A 126
 None
 1.06A 2dysN-4k0uA:
undetectable
2dysW-4k0uA:
undetectable		 2dysN-4k0uA:
11.32
2dysW-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
 0.96A 2dysN-4k3bA:
undetectable
2dysW-4k3bA:
undetectable		 2dysN-4k3bA:
19.36
2dysW-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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		4 LEU A 275
ARG A 303
MET A 307
LEU A 308
 None
 0.90A 2dysN-4kemA:
undetectable
2dysW-4kemA:
undetectable		 2dysN-4kemA:
21.75
2dysW-4kemA:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 2dysN-4kxbA:
undetectable
2dysW-4kxbA:
undetectable		 2dysN-4kxbA:
20.00
2dysW-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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 LEU A  63
MET A 237
THR A 236
LEU A 140
 None
 1.04A 2dysN-4mniA:
undetectable
2dysW-4mniA:
undetectable		 2dysN-4mniA:
20.38
2dysW-4mniA:
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.
4mt6 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 9

(Rattus
norvegicus) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 LEU A 209
TYR A 204
THR A 248
LEU A 247
 None
 1.04A 2dysN-4mt6A:
undetectable
2dysW-4mt6A:
undetectable		 2dysN-4mt6A:
20.44
2dysW-4mt6A:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2dysN-4n2xA:
undetectable
2dysW-4n2xA:
undetectable		 2dysN-4n2xA:
20.46
2dysW-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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		4 LEU A 329
ARG A 230
THR A 373
LEU A 374
 None
 1.01A 2dysN-4nz0A:
undetectable
2dysW-4nz0A:
undetectable		 2dysN-4nz0A:
22.41
2dysW-4nz0A:
9.49
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		4 LEU A  51
ARG A   7
THR A  65
LEU A  68
 None
 1.03A 2dysN-4o6xA:
undetectable
2dysW-4o6xA:
undetectable		 2dysN-4o6xA:
13.04
2dysW-4o6xA:
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.
4p8s RETICULON-4
RECEPTOR-LIKE 2

(Rattus
norvegicus) 		PF13855
(LRR_8) 		4 LEU A 258
ARG A 207
THR A 230
LEU A 253
 None
 1.04A 2dysN-4p8sA:
undetectable
2dysW-4p8sA:
undetectable		 2dysN-4p8sA:
18.85
2dysW-4p8sA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU A1119
MET A 820
THR A 819
LEU A 818
 None
 0.96A 2dysN-4pj3A:
undetectable
2dysW-4pj3A:
undetectable		 2dysN-4pj3A:
15.67
2dysW-4pj3A:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rq9 PHOTORECEPTOR-HISTID
INE KINASE BPHP

(Stigmatella
aurantiaca) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 123
ARG A 118
THR A  46
LEU A  45
 None
 0.98A 2dysN-4rq9A:
undetectable
2dysW-4rq9A:
undetectable		 2dysN-4rq9A:
18.92
2dysW-4rq9A:
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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.86A 2dysN-4rwtC:
undetectable
2dysW-4rwtC:
undetectable		 2dysN-4rwtC:
19.44
2dysW-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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 LEU A 210
ARG A 227
THR A 225
LEU A 224
 None
 1.06A 2dysN-4wpzA:
undetectable
2dysW-4wpzA:
undetectable		 2dysN-4wpzA:
21.80
2dysW-4wpzA:
9.39
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.
4wsb POLYMERASE PB2

(Influenza A
virus) 		PF00604
(Flu_PB2) 		4 LEU C 207
ARG C 157
THR C 155
LEU C 154
 None
 0.74A 2dysN-4wsbC:
2.0
2dysW-4wsbC:
undetectable		 2dysN-4wsbC:
22.62
2dysW-4wsbC:
5.53
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.
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
 1.02A 2dysN-4yb9D:
undetectable
2dysW-4yb9D:
undetectable		 2dysN-4yb9D:
24.01
2dysW-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.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		4 LEU A 572
ARG A 527
THR A 562
LEU A 563
 None
 0.92A 2dysN-4yk6A:
2.1
2dysW-4yk6A:
undetectable		 2dysN-4yk6A:
18.86
2dysW-4yk6A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		4 LEU A 356
ARG A 505
THR A 468
LEU A 469
 None
 0.98A 2dysN-5cxwA:
undetectable
2dysW-5cxwA:
undetectable		 2dysN-5cxwA:
23.22
2dysW-5cxwA:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 LEU A 430
ARG A  37
THR A 464
LEU A 463
 None
 1.00A 2dysN-5e7pA:
undetectable
2dysW-5e7pA:
undetectable		 2dysN-5e7pA:
22.32
2dysW-5e7pA:
4.99
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.
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
 0.93A 2dysN-5ezrA:
undetectable
2dysW-5ezrA:
undetectable		 2dysN-5ezrA:
20.35
2dysW-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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 LEU A 203
TYR A 190
THR A 236
LEU A 240
 None
 1.04A 2dysN-5h2tA:
undetectable
2dysW-5h2tA:
undetectable		 2dysN-5h2tA:
20.56
2dysW-5h2tA:
6.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 LEU A 609
ARG A 620
THR A 643
LEU A 644
 None
 0.95A 2dysN-5hy7A:
undetectable
2dysW-5hy7A:
undetectable		 2dysN-5hy7A:
18.40
2dysW-5hy7A:
4.57
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.
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 2dysN-5iigA:
3.4
2dysW-5iigA:
undetectable		 2dysN-5iigA:
20.84
2dysW-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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		4 LEU A 286
ARG A 277
THR A 275
LEU A 274
 None
 0.78A 2dysN-5k9tA:
undetectable
2dysW-5k9tA:
undetectable		 2dysN-5k9tA:
21.11
2dysW-5k9tA:
7.95
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 LEU A 829
TYR A 887
THR A 861
LEU A 860
 None
 0.96A 2dysN-5kdxA:
undetectable
2dysW-5kdxA:
undetectable		 2dysN-5kdxA:
20.04
2dysW-5kdxA:
6.03
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		4 LEU B 554
ARG B 531
THR B 535
LEU B 538
 None
 1.06A 2dysN-5l3xB:
2.3
2dysW-5l3xB:
undetectable		 2dysN-5l3xB:
21.91
2dysW-5l3xB:
13.27
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		5 LEU A 452
TYR A 392
ARG A 393
MET A 396
THR A 397
 5MY  A 502 (-4.6A)
None
None
None
None
 1.22A 2dysN-5mwlA:
undetectable
2dysW-5mwlA:
undetectable		 2dysN-5mwlA:
19.60
2dysW-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
 0.78A 2dysN-5nm7G:
undetectable
2dysW-5nm7G:
undetectable		 2dysN-5nm7G:
undetectable
2dysW-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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 LEU A 163
ARG A 149
MET A 604
THR A 603
LEU A 600
 None
 1.00A 2dysN-5nqdA:
undetectable
2dysW-5nqdA:
undetectable		 2dysN-5nqdA:
undetectable
2dysW-5nqdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 4 LEU A 112
ARG A  61
THR A  84
LEU A 107
 None
 0.96A 2dysN-5o0lA:
undetectable
2dysW-5o0lA:
undetectable		 2dysN-5o0lA:
20.26
2dysW-5o0lA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 LEU A  92
ARG A  82
MET A 113
THR A 112
 None
 1.06A 2dysN-5tiwA:
undetectable
2dysW-5tiwA:
undetectable		 2dysN-5tiwA:
16.34
2dysW-5tiwA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 LEU A 243
TYR A  76
ARG A  78
LEU A 591
 None
 0.89A 2dysN-5wugA:
undetectable
2dysW-5wugA:
undetectable		 2dysN-5wugA:
undetectable
2dysW-5wugA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 4 LEU A 289
ARG A 345
THR A 263
LEU A 264
 None
 1.06A 2dysN-5wypA:
undetectable
2dysW-5wypA:
undetectable		 2dysN-5wypA:
undetectable
2dysW-5wypA:
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 4 LEU M 176
TYR M 153
THR M 155
LEU M 158
 None
 0.82A 2dysN-5x41M:
undetectable
2dysW-5x41M:
undetectable		 2dysN-5x41M:
19.61
2dysW-5x41M:
13.49
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 LEU A 538
ARG A 511
THR A 505
LEU A 550
 None
 0.89A 2dysN-5xfaA:
undetectable
2dysW-5xfaA:
undetectable		 2dysN-5xfaA:
22.80
2dysW-5xfaA:
6.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2dysN-5xk8A:
undetectable
2dysW-5xk8A:
undetectable		 2dysN-5xk8A:
undetectable
2dysW-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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 LEU A 585
MET A  41
THR A  42
LEU A  45
 None
 0.87A 2dysN-5ys9A:
3.0
2dysW-5ys9A:
undetectable		 2dysN-5ys9A:
undetectable
2dysW-5ys9A:
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 LEU A2471
ARG A2544
MET A2543
LEU A2550
 None
 1.05A 2dysN-5yz0A:
undetectable
2dysW-5yz0A:
undetectable		 2dysN-5yz0A:
undetectable
2dysW-5yz0A:
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.
5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20

(Homo sapiens) 		no annotation 4 LEU A   7
ARG A  80
THR A  73
LEU A  72
 None
 0.90A 2dysN-5z4iA:
undetectable
2dysW-5z4iA:
undetectable		 2dysN-5z4iA:
undetectable
2dysW-5z4iA:
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.
6c96 TWO PORE CALCIUM
CHANNEL PROTEIN 1

(Mus musculus) 		no annotation 4 LEU A 721
TYR A 361
THR A 383
LEU A 382
 None
 0.95A 2dysN-6c96A:
undetectable
2dysW-6c96A:
undetectable		 2dysN-6c96A:
undetectable
2dysW-6c96A:
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 4 LEU A 172
ARG A 227
THR A 211
LEU A 214
 None
 0.98A 2dysN-6co9A:
undetectable
2dysW-6co9A:
undetectable		 2dysN-6co9A:
undetectable
2dysW-6co9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 169
ARG A 224
THR A 208
LEU A 211
 None
 1.02A 2dysN-6conA:
undetectable
2dysW-6conA:
undetectable		 2dysN-6conA:
undetectable
2dysW-6conA:
undetectable