SIMILAR PATTERNS OF AMINO ACIDS FOR 2E5D_B_NCAB1502_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		4 ASP A 258
TYR A 297
ASP A 263
ARG A  27
 ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
None
None
 1.23A 2e5dA-1c3rA:
undetectable
2e5dB-1c3rA:
undetectable		 2e5dA-1c3rA:
21.85
2e5dB-1c3rA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dju AROMATIC
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		4 ASP A 280
TYR A  47
ARG A 282
ALA A 273
 None
 1.27A 2e5dA-1djuA:
undetectable
2e5dB-1djuA:
undetectable		 2e5dA-1djuA:
22.50
2e5dB-1djuA:
22.50
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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		4 ASP A 227
PHE A 229
ARG A 178
ARG A 304
 None
 1.03A 2e5dA-1drtA:
undetectable
2e5dB-1drtA:
undetectable		 2e5dA-1drtA:
22.53
2e5dB-1drtA:
22.53
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri) 		PF02240
(MCR_gamma) 		4 ASP C3174
ARG C3177
ASP C3171
ALA C3191
 None
 1.03A 2e5dA-1e6yC:
undetectable
2e5dB-1e6yC:
undetectable		 2e5dA-1e6yC:
17.92
2e5dB-1e6yC:
17.92
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.
1ev1 ECHOVIRUS 1
ECHOVIRUS 1

(Enterovirus B;
Enterovirus B) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 ASP 3  17
ARG 1 180
ASP 3  18
ALA 1  69
 None
 1.28A 2e5dA-1ev13:
undetectable
2e5dB-1ev13:
undetectable		 2e5dA-1ev13:
16.40
2e5dB-1ev13:
16.40
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.
1fvi CHLORELLA VIRUS DNA
LIGASE-ADENYLATE

(Chlorella virus) 		PF01068
(DNA_ligase_A_M)
PF14743
(DNA_ligase_OB_2) 		4 ASP A  65
TYR A 172
ARG A  32
ASP A  99
 None
None
AMP  A 501 (-4.2A)
None
 1.08A 2e5dA-1fviA:
undetectable
2e5dB-1fviA:
undetectable		 2e5dA-1fviA:
20.38
2e5dB-1fviA:
20.38
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ASP A 502
TYR A 506
ARG A 595
ALA A 508
 None
 1.17A 2e5dA-1h17A:
undetectable
2e5dB-1h17A:
undetectable		 2e5dA-1h17A:
21.11
2e5dB-1h17A:
21.11
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.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASP A 426
ARG A 141
ASP A 425
ALA A 430
 None
 1.25A 2e5dA-1hbzA:
undetectable
2e5dB-1hbzA:
undetectable		 2e5dA-1hbzA:
22.58
2e5dB-1hbzA:
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 ASP A 163
ARG A 162
ASP A 169
ARG A 146
 None
None
None
SO4  A 481 (-3.1A)
 1.05A 2e5dA-1k7hA:
undetectable
2e5dB-1k7hA:
undetectable		 2e5dA-1k7hA:
20.83
2e5dB-1k7hA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00977
(His_biosynth)
PF00117
(GATase) 		4 ASP F 252
PHE H 138
ARG F 250
ALA H 188
 None
 1.18A 2e5dA-1ka9F:
3.8
2e5dB-1ka9F:
3.0		 2e5dA-1ka9F:
18.89
2e5dB-1ka9F:
18.89
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.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		4 ASP A 238
TYR A 240
ARG A 234
ASP A 239
 None
None
NAD  A 700 (-3.2A)
None
 1.19A 2e5dA-1mjtA:
undetectable
2e5dB-1mjtA:
undetectable		 2e5dA-1mjtA:
22.77
2e5dB-1mjtA:
22.77
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.
1mzu PPR

(Rhodospirillum
centenum) 		PF00989
(PAS) 		4 ASP A  97
PHE A  98
ALA A  67
ARG A  52
 None
HC4  A 130 (-4.9A)
HC4  A 130 (-3.4A)
HC4  A 130 ( 3.9A)
 1.00A 2e5dA-1mzuA:
undetectable
2e5dB-1mzuA:
undetectable		 2e5dA-1mzuA:
12.55
2e5dB-1mzuA:
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.
1nqz COA PYROPHOSPHATASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		4 ASP A   9
ARG A  55
ASP A   6
ALA A  36
 None
 0.98A 2e5dA-1nqzA:
undetectable
2e5dB-1nqzA:
undetectable		 2e5dA-1nqzA:
15.59
2e5dB-1nqzA:
15.59
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 ASP A 124
TYR A 231
ARG A  72
ASP A 145
 None
None
G  A1167 ( 4.7A)
None
 1.06A 2e5dA-1p16A:
undetectable
2e5dB-1p16A:
undetectable		 2e5dA-1p16A:
22.29
2e5dB-1p16A:
22.29
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASP A 342
ARG A 391
ASP A 724
ARG A 883
 None
 1.20A 2e5dA-1p2zA:
undetectable
2e5dB-1p2zA:
undetectable		 2e5dA-1p2zA:
20.12
2e5dB-1p2zA:
20.12
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		4 ASP A1502
TYR A1506
ARG A1520
ALA A1508
 None
 1.13A 2e5dA-1qhmA:
2.6
2e5dB-1qhmA:
undetectable		 2e5dA-1qhmA:
22.10
2e5dB-1qhmA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		4 ASP A1502
TYR A1506
ARG A1595
ALA A1508
 None
 1.16A 2e5dA-1qhmA:
2.6
2e5dB-1qhmA:
undetectable		 2e5dA-1qhmA:
22.10
2e5dB-1qhmA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spp MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-I
MAJOR SEMINAL PLASMA
GLYCOPROTEIN PSP-II

(Sus scrofa;
Sus scrofa) 		PF00431
(CUB)
PF00431
(CUB) 		4 ASP A  16
TYR B 106
ARG A 109
ALA B  45
 None
 1.01A 2e5dA-1sppA:
undetectable
2e5dB-1sppA:
undetectable		 2e5dA-1sppA:
12.88
2e5dB-1sppA:
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.
1su3 INTERSTITIAL
COLLAGENASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		4 PHE A 368
ARG A 405
ALA A 350
ARG A 341
 None
 1.21A 2e5dA-1su3A:
undetectable
2e5dB-1su3A:
undetectable		 2e5dA-1su3A:
22.71
2e5dB-1su3A:
22.71
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.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		4 ASP A 528
TYR A 624
ARG A 486
ASP A 560
 None
None
APK  A 481 ( 4.0A)
None
 1.09A 2e5dA-1vs0A:
undetectable
2e5dB-1vs0A:
undetectable		 2e5dA-1vs0A:
19.80
2e5dB-1vs0A:
19.80
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 ASP A  35
TYR A  37
PHE A 201
ARG A 204
 None
 1.14A 2e5dA-1ybeA:
5.5
2e5dB-1ybeA:
9.4		 2e5dA-1ybeA:
23.76
2e5dB-1ybeA:
23.76
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.
1yir NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Pseudomonas
aeruginosa) 		PF04095
(NAPRTase) 		5 ASP A  20
TYR A  22
PHE A 178
ARG A 181
ARG A 287
 None
SO4  A2001 (-4.6A)
None
SO4  A2001 (-3.5A)
SO4  A2001 (-3.1A)
 0.64A 2e5dA-1yirA:
5.1
2e5dB-1yirA:
6.1		 2e5dA-1yirA:
23.54
2e5dB-1yirA:
23.54
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.
2a9c SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ASP A 321
TYR A 322
ARG A 450
ALA A 297
 None
MTE  A1501 ( 4.8A)
SO4  A7503 (-3.2A)
MTE  A1501 (-3.7A)
 1.22A 2e5dA-2a9cA:
undetectable
2e5dB-2a9cA:
undetectable		 2e5dA-2a9cA:
21.30
2e5dB-2a9cA:
21.30
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.
2bmf RNA HELICASE

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 ASP A 323
PHE A 325
ALA A 454
ARG A 458
 None
 1.16A 2e5dA-2bmfA:
undetectable
2e5dB-2bmfA:
undetectable		 2e5dA-2bmfA:
21.50
2e5dB-2bmfA:
21.50
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ASP A 532
PHE A 319
ARG A 320
ASP A 533
 None
 1.21A 2e5dA-2cfmA:
undetectable
2e5dB-2cfmA:
undetectable		 2e5dA-2cfmA:
22.47
2e5dB-2cfmA:
22.47
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		4 ASP A 256
TYR A 222
ARG A 260
ALA A  86
 None
 1.12A 2e5dA-2cuyA:
undetectable
2e5dB-2cuyA:
undetectable		 2e5dA-2cuyA:
21.31
2e5dB-2cuyA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gm5 TRANSPOSON
GAMMA-DELTA
RESOLVASE

(Escherichia
coli) 		PF00239
(Resolvase) 		4 ASP A  44
ARG A  71
ASP A  36
ARG A  52
 None
 1.18A 2e5dA-2gm5A:
undetectable
2e5dB-2gm5A:
undetectable		 2e5dA-2gm5A:
15.26
2e5dB-2gm5A:
15.26
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		4 ASP A 169
ARG A 171
ASP A 166
ARG A  57
 None
 1.27A 2e5dA-2ibnA:
undetectable
2e5dB-2ibnA:
undetectable		 2e5dA-2ibnA:
22.15
2e5dB-2ibnA:
22.15
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 ASP A  11
PHE A 165
ARG A 168
ARG A 273
 None
 1.12A 2e5dA-2im5A:
10.0
2e5dB-2im5A:
10.0		 2e5dA-2im5A:
23.24
2e5dB-2im5A:
23.24
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		4 ASP A 486
PHE A 488
ALA A 474
ARG A 393
 ASP  A 486 ( 0.6A)
PHE  A 488 ( 1.3A)
ALA  A 474 ( 0.0A)
ARG  A 393 ( 0.6A)
 1.08A 2e5dA-2ogsA:
undetectable
2e5dB-2ogsA:
undetectable		 2e5dA-2ogsA:
21.26
2e5dB-2ogsA:
21.26
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.
2okq HYPOTHETICAL PROTEIN
YBAA

(Shigella
flexneri) 		PF07237
(DUF1428) 		4 ASP A   5
TYR A 108
PHE A 111
ARG A  79
 None
 1.19A 2e5dA-2okqA:
undetectable
2e5dB-2okqA:
undetectable		 2e5dA-2okqA:
14.17
2e5dB-2okqA:
14.17
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.
2ome C-TERMINAL-BINDING
PROTEIN 2

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A 237
PHE A 266
ALA A 176
ARG A 291
 None
 1.23A 2e5dA-2omeA:
undetectable
2e5dB-2omeA:
undetectable		 2e5dA-2omeA:
22.27
2e5dB-2omeA:
22.27
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.
2uyo HYPOTHETICAL PROTEIN
ML2640

(Mycobacterium
leprae) 		PF04072
(LCM) 		4 PHE A 175
ARG A 171
ASP A 176
ALA A 209
 None
 0.95A 2e5dA-2uyoA:
undetectable
2e5dB-2uyoA:
2.3		 2e5dA-2uyoA:
20.77
2e5dB-2uyoA:
20.77
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		4 ASP A 641
TYR A 546
ARG A 501
ASP A 595
 None
 1.10A 2e5dA-2zj4A:
undetectable
2e5dB-2zj4A:
undetectable		 2e5dA-2zj4A:
21.48
2e5dB-2zj4A:
21.48
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 ASP A 401
TYR A 595
ALA A 594
ARG A 304
 CA  A 629 (-2.5A)
RAM  A 639 (-4.7A)
None
None
 1.07A 2e5dA-2zuxA:
undetectable
2e5dB-2zuxA:
undetectable		 2e5dA-2zuxA:
22.91
2e5dB-2zuxA:
22.91
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 ASP A 432
PHE A 462
ARG A 632
ALA A  31
 None
 1.26A 2e5dA-2zxoA:
undetectable
2e5dB-2zxoA:
undetectable		 2e5dA-2zxoA:
22.32
2e5dB-2zxoA:
22.32
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		4 TYR A  65
PHE A 384
ASP A 380
ALA A  69
 None
 1.09A 2e5dA-3b9yA:
undetectable
2e5dB-3b9yA:
undetectable		 2e5dA-3b9yA:
19.88
2e5dB-3b9yA:
19.88
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.
3bdv UNCHARACTERIZED
PROTEIN DUF1234

(Pectobacterium
atrosepticum) 		PF06821
(Ser_hydrolase) 		4 ASP A  30
ARG A  39
ASP A  29
ALA A 165
 None
 1.16A 2e5dA-3bdvA:
undetectable
2e5dB-3bdvA:
undetectable		 2e5dA-3bdvA:
16.36
2e5dB-3bdvA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 ASP A 726
TYR A 721
PHE A 728
ALA A 707
 None
None
SUC  A   1 (-3.4A)
None
 1.07A 2e5dA-3h6zA:
undetectable
2e5dB-3h6zA:
undetectable		 2e5dA-3h6zA:
21.91
2e5dB-3h6zA:
21.91
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		4 ASP A 177
PHE A 148
ARG A 152
ALA A 179
 None
 1.25A 2e5dA-3i3yA:
undetectable
2e5dB-3i3yA:
undetectable		 2e5dA-3i3yA:
20.00
2e5dB-3i3yA:
20.00
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.
3ifq PLAKOGLOBIN
E-CADHERIN

(Homo sapiens;
Mus musculus) 		PF00514
(Arm)
PF01049
(Cadherin_C) 		4 ASP C 665
ARG A 572
ALA C 670
ARG A 506
 None
 1.13A 2e5dA-3ifqC:
undetectable
2e5dB-3ifqC:
undetectable		 2e5dA-3ifqC:
12.77
2e5dB-3ifqC:
12.77
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP B  32
TYR B  33
ASP B  31
ALA B 474
 None
 1.22A 2e5dA-3igzB:
undetectable
2e5dB-3igzB:
undetectable		 2e5dA-3igzB:
21.45
2e5dB-3igzB:
21.45
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A 316
PHE A 502
ARG A 442
ALA A 317
 None
 1.08A 2e5dA-3kf3A:
undetectable
2e5dB-3kf3A:
undetectable		 2e5dA-3kf3A:
21.95
2e5dB-3kf3A:
21.95
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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ASP A 471
TYR A 579
ARG A 426
ASP A 509
 None
None
AMP  A 901 (-3.8A)
None
 1.10A 2e5dA-3l2pA:
undetectable
2e5dB-3l2pA:
undetectable		 2e5dA-3l2pA:
22.37
2e5dB-3l2pA:
22.37
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ASP A 319
ARG A 321
ASP A 316
ARG A 408
 None
 1.08A 2e5dA-3myvA:
undetectable
2e5dB-3myvA:
undetectable		 2e5dA-3myvA:
21.60
2e5dB-3myvA:
21.60
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		4 ASP A 362
TYR A 337
ASP A 335
ARG A 340
 None
 1.19A 2e5dA-3n9oA:
undetectable
2e5dB-3n9oA:
undetectable		 2e5dA-3n9oA:
21.00
2e5dB-3n9oA:
21.00
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		5 ASP A  16
TYR A  18
PHE A 174
ARG A 177
ARG A 282
 None
 0.85A 2e5dA-3os4A:
6.5
2e5dB-3os4A:
6.5		 2e5dA-3os4A:
25.52
2e5dB-3os4A:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p01 TWO-COMPONENT
RESPONSE REGULATOR

(Nostoc sp. PCC
7120) 		PF13185
(GAF_2) 		4 ASP A 292
ARG A 290
ALA A 158
ARG A 154
 None
 1.07A 2e5dA-3p01A:
undetectable
2e5dB-3p01A:
undetectable		 2e5dA-3p01A:
16.83
2e5dB-3p01A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		4 ASP A 271
PHE A 205
ARG A 273
ALA A 216
 None
 1.12A 2e5dA-3p9uA:
undetectable
2e5dB-3p9uA:
undetectable		 2e5dA-3p9uA:
21.10
2e5dB-3p9uA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		4 ASP A  37
TYR A  38
ALA A  59
ARG A  55
 None
 1.13A 2e5dA-3t2yA:
undetectable
2e5dB-3t2yA:
undetectable		 2e5dA-3t2yA:
22.12
2e5dB-3t2yA:
22.12
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
NEUREGULIN 1

(Homo sapiens;
Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV)
PF00008
(EGF) 		4 ASP A 125
TYR A 123
ALA A  93
ARG G  33
 None
 1.24A 2e5dA-3u7uA:
undetectable
2e5dB-3u7uA:
undetectable		 2e5dA-3u7uA:
23.05
2e5dB-3u7uA:
23.05
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		4 ASP A 446
ARG A 459
ALA A 185
ARG A 323
 None
None
None
FAD  A 801 (-3.4A)
 1.19A 2e5dA-3umvA:
undetectable
2e5dB-3umvA:
undetectable		 2e5dA-3umvA:
20.87
2e5dB-3umvA:
20.87
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASP A 298
ARG A 347
ASP A 669
ARG A 827
 None
 1.19A 2e5dA-3zifA:
undetectable
2e5dB-3zifA:
undetectable		 2e5dA-3zifA:
20.72
2e5dB-3zifA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP A 259
TYR A 298
ASP A 264
ARG A  28
 ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
None
None
 1.24A 2e5dA-4a69A:
undetectable
2e5dB-4a69A:
undetectable		 2e5dA-4a69A:
21.26
2e5dB-4a69A:
21.26
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1208
TYR A1167
ARG A1130
ALA A1143
 None
 1.26A 2e5dA-4amcA:
2.9
2e5dB-4amcA:
undetectable		 2e5dA-4amcA:
18.70
2e5dB-4amcA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1211
TYR A1170
ARG A1133
ALA A1146
 None
 1.17A 2e5dA-4aygA:
undetectable
2e5dB-4aygA:
undetectable		 2e5dA-4aygA:
20.67
2e5dB-4aygA:
20.67
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 ASP A 285
TYR A 341
ASP A 290
ARG A  24
 ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
None
None
 1.21A 2e5dA-4bz7A:
undetectable
2e5dB-4bz7A:
undetectable		 2e5dA-4bz7A:
23.23
2e5dB-4bz7A:
23.23
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 ASP A 255
TYR A 256
ARG A 303
ALA A 293
 None
 1.28A 2e5dA-4d8uA:
2.4
2e5dB-4d8uA:
undetectable		 2e5dA-4d8uA:
21.67
2e5dB-4d8uA:
21.67
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ASP A  91
TYR A 114
ASP A 116
ALA A 104
 None
 1.26A 2e5dA-4e21A:
2.1
2e5dB-4e21A:
2.0		 2e5dA-4e21A:
21.72
2e5dB-4e21A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		4 ASP A 423
TYR A 395
PHE A 424
ARG A 427
 None
 1.24A 2e5dA-4e4gA:
undetectable
2e5dB-4e4gA:
undetectable		 2e5dA-4e4gA:
23.16
2e5dB-4e4gA:
23.16
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 ASP A 332
PHE A 101
ARG A 328
ALA A 133
 None
 0.85A 2e5dA-4hkmA:
undetectable
2e5dB-4hkmA:
undetectable		 2e5dA-4hkmA:
21.48
2e5dB-4hkmA:
21.48
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		4 ASP A  20
TYR A  22
ARG A 187
ARG A 292
 None
 0.85A 2e5dA-4hl7A:
9.3
2e5dB-4hl7A:
9.4		 2e5dA-4hl7A:
23.18
2e5dB-4hl7A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hln STARCH SYNTHASE I

(Hordeum vulgare) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 TYR A 147
PHE A 208
ARG A 217
ALA A 113
 None
 1.26A 2e5dA-4hlnA:
undetectable
2e5dB-4hlnA:
undetectable		 2e5dA-4hlnA:
21.60
2e5dB-4hlnA:
21.60
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.
4i0p HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DO ALPHA
CHAIN
HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DO BETA
CHAIN

(Homo sapiens;
Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set)
PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 ASP D  14
TYR D  16
ARG D  29
ALA C   3
 None
 1.02A 2e5dA-4i0pD:
undetectable
2e5dB-4i0pD:
undetectable		 2e5dA-4i0pD:
14.89
2e5dB-4i0pD:
14.89
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.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASP A 207
ARG A 210
ALA A 231
ARG A 276
 None
 1.16A 2e5dA-4k9qA:
3.3
2e5dB-4k9qA:
undetectable		 2e5dA-4k9qA:
22.28
2e5dB-4k9qA:
22.28
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.
4kny KDP OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
KDPE

(Escherichia
coli) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 ASP A  66
ARG A 158
ALA A  41
ARG A 141
 None
 1.00A 2e5dA-4knyA:
undetectable
2e5dB-4knyA:
undetectable		 2e5dA-4knyA:
21.17
2e5dB-4knyA:
21.17
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 PHE A  46
ASP A  49
ALA A  26
ARG A 102
 None
 1.18A 2e5dA-4ktpA:
undetectable
2e5dB-4ktpA:
undetectable		 2e5dA-4ktpA:
21.01
2e5dB-4ktpA:
21.01
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.
4mg4 PHOSPHONOMUTASE

(Burkholderia
cenocepacia) 		PF13714
(PEP_mutase) 		4 ASP A 146
ARG A  11
ALA A 140
ARG A 137
 None
 1.01A 2e5dA-4mg4A:
4.7
2e5dB-4mg4A:
4.5		 2e5dA-4mg4A:
18.13
2e5dB-4mg4A:
18.13
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 ASP A 413
TYR A 401
ASP A 399
ARG A 507
 None
 1.06A 2e5dA-4n4kA:
undetectable
2e5dB-4n4kA:
undetectable		 2e5dA-4n4kA:
23.37
2e5dB-4n4kA:
23.37
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.
4nao PUTATIVE OXYGENASE

(Claviceps
purpurea) 		PF05721
(PhyH) 		4 TYR A 125
ASP A 244
ALA A 127
ARG A  86
 None
 1.03A 2e5dA-4naoA:
undetectable
2e5dB-4naoA:
undetectable		 2e5dA-4naoA:
20.16
2e5dB-4naoA:
20.16
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ASP A 478
PHE A 485
ARG A 483
ARG A  87
 None
None
None
SPV  A 704 (-3.8A)
 1.10A 2e5dA-4ox2A:
undetectable
2e5dB-4ox2A:
undetectable		 2e5dA-4ox2A:
22.98
2e5dB-4ox2A:
22.98
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 ASP A 105
ARG A 100
ALA A 175
ARG A 172
 None
 1.22A 2e5dA-4pwoA:
undetectable
2e5dB-4pwoA:
undetectable		 2e5dA-4pwoA:
21.39
2e5dB-4pwoA:
21.39
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.
4pz7 MRNA-CAPPING ENZYME
SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 ASP A 124
TYR A 230
ARG A  72
ASP A 145
 None
None
GPL  A  67 (-4.6A)
None
 1.07A 2e5dA-4pz7A:
undetectable
2e5dB-4pz7A:
undetectable		 2e5dA-4pz7A:
23.68
2e5dB-4pz7A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		4 ASP A 242
PHE A 241
ARG A 225
ALA A 285
 None
 1.24A 2e5dA-4qp0A:
3.3
2e5dB-4qp0A:
3.2		 2e5dA-4qp0A:
21.36
2e5dB-4qp0A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wp3 MA1120

(Mycobacterium
avium) 		PF00211
(Guanylate_cyc) 		4 ASP A  61
ARG A 143
ALA A  36
ARG A 168
 None
 1.27A 2e5dA-4wp3A:
undetectable
2e5dB-4wp3A:
undetectable		 2e5dA-4wp3A:
16.95
2e5dB-4wp3A:
16.95
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.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 ASP A  71
PHE A  70
ARG A   3
ALA A  92
 None
 1.06A 2e5dA-4ywjA:
undetectable
2e5dB-4ywjA:
undetectable		 2e5dA-4ywjA:
19.39
2e5dB-4ywjA:
19.39
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 ASP A 269
ARG A  27
ASP A 279
ARG A  76
 None
 1.14A 2e5dA-4z0zA:
undetectable
2e5dB-4z0zA:
undetectable		 2e5dA-4z0zA:
22.57
2e5dB-4z0zA:
22.57
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 ASP A 269
ARG A  27
ASP A 279
ARG A  76
 None
 1.15A 2e5dA-4z11A:
undetectable
2e5dB-4z11A:
undetectable		 2e5dA-4z11A:
22.64
2e5dB-4z11A:
22.64
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 ASP A  15
PHE A  16
ARG A 376
ARG A  21
 None
 1.08A 2e5dA-5bzaA:
2.8
2e5dB-5bzaA:
2.6		 2e5dA-5bzaA:
21.55
2e5dB-5bzaA:
21.55
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.
5dis SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1) 		4 ASP C 173
TYR C 266
ARG C 129
ASP C 187
 None
None
PRO  C 301 (-4.4A)
None
 1.12A 2e5dA-5disC:
undetectable
2e5dB-5disC:
undetectable		 2e5dA-5disC:
20.28
2e5dB-5disC:
20.28
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		4 ASP A 318
TYR A 341
PHE A 317
ALA A 357
 None
 1.27A 2e5dA-5e9gA:
4.0
2e5dB-5e9gA:
4.2		 2e5dA-5e9gA:
20.85
2e5dB-5e9gA:
20.85
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 ASP A  69
PHE A  71
ARG A  73
ALA A 110
 None
 1.24A 2e5dA-5eefA:
undetectable
2e5dB-5eefA:
undetectable		 2e5dA-5eefA:
21.26
2e5dB-5eefA:
21.26
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.
5f5y PROTEIN CYCLE

(Drosophila
melanogaster) 		PF14598
(PAS_11) 		4 ASP A 325
PHE A 311
ARG A 327
ALA A 407
 None
None
None
EDO  A 501 (-3.3A)
 1.07A 2e5dA-5f5yA:
undetectable
2e5dB-5f5yA:
undetectable		 2e5dA-5f5yA:
12.45
2e5dB-5f5yA:
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.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ASP g 199
TYR g 203
ALA g 376
ARG g 330
 None
 1.22A 2e5dA-5gw4g:
undetectable
2e5dB-5gw4g:
undetectable		 2e5dA-5gw4g:
24.07
2e5dB-5gw4g:
24.07
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.
5l0l UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 ASP A 250
PHE A 249
ALA A 264
ARG A 143
 None
 1.17A 2e5dA-5l0lA:
undetectable
2e5dB-5l0lA:
undetectable		 2e5dA-5l0lA:
18.89
2e5dB-5l0lA:
18.89
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.
5l25 BORON TRANSPORTER 1

(Arabidopsis
thaliana) 		PF00955
(HCO3_cotransp) 		4 ASP A 237
TYR A  42
ARG A 222
ALA A  46
 None
 1.24A 2e5dA-5l25A:
undetectable
2e5dB-5l25A:
undetectable		 2e5dA-5l25A:
21.63
2e5dB-5l25A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASP A 330
ARG A 379
ASP A 708
ARG A 867
 None
 1.25A 2e5dA-5ldnA:
undetectable
2e5dB-5ldnA:
undetectable		 2e5dA-5ldnA:
20.17
2e5dB-5ldnA:
20.17
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.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		4 PHE A 135
ARG A 115
ASP A 118
ARG A 275
 None
 1.19A 2e5dA-5ltiA:
undetectable
2e5dB-5ltiA:
undetectable		 2e5dA-5ltiA:
21.51
2e5dB-5ltiA:
21.51
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ASP B 152
PHE B 151
ARG B  72
ASP B 149
 None
 1.21A 2e5dA-5n28B:
undetectable
2e5dB-5n28B:
undetectable		 2e5dA-5n28B:
20.12
2e5dB-5n28B:
20.12
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.
5nmi CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL

(Bos taurus;
Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		4 TYR C 256
PHE C  63
ARG C  80
ALA D 119
 None
None
HEM  C 501 (-3.7A)
None
 1.24A 2e5dA-5nmiC:
undetectable
2e5dB-5nmiC:
undetectable		 2e5dA-5nmiC:
21.81
2e5dB-5nmiC:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol8 TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 342
PHE A 285
ARG A 293
ALA A 347
 None
 1.18A 2e5dA-5ol8A:
undetectable
2e5dB-5ol8A:
undetectable		 2e5dA-5ol8A:
21.77
2e5dB-5ol8A:
21.77
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.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 342
PHE A 285
ARG A 293
ALA A 347
 None
 1.12A 2e5dA-5olaA:
undetectable
2e5dB-5olaA:
undetectable		 2e5dA-5olaA:
18.45
2e5dB-5olaA:
18.45
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		4 ASP A 116
TYR A 120
ALA A  70
ARG A 124
 None
 1.18A 2e5dA-5t5qA:
undetectable
2e5dB-5t5qA:
undetectable		 2e5dA-5t5qA:
18.97
2e5dB-5t5qA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 PHE A 193
ARG A 196
ASP A 219
ALA A 244
ARG A 311
 7TA  A 504 (-3.6A)
SO4  A 501 ( 3.2A)
7TA  A 504 (-3.3A)
7TA  A 504 (-3.5A)
SO4  A 501 ( 3.2A)
 0.19A 2e5dA-5u2nA:
58.8
2e5dB-5u2nA:
58.6		 2e5dA-5u2nA:
100.00
2e5dB-5u2nA:
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 4 ASP A  97
PHE A 144
ALA A 102
ARG A 105
 None
 1.22A 2e5dA-5ve8A:
undetectable
2e5dB-5ve8A:
undetectable		 2e5dA-5ve8A:
19.54
2e5dB-5ve8A:
19.54
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.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		4 ASP A  52
PHE A  51
ARG A 177
ALA A  75
 None
 1.28A 2e5dA-5vveA:
undetectable
2e5dB-5vveA:
undetectable		 2e5dA-5vveA:
20.49
2e5dB-5vveA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 ASP A 628
TYR A 451
ARG A 629
ALA A 488
 None
 1.14A 2e5dA-5xblA:
undetectable
2e5dB-5xblA:
undetectable		 2e5dA-5xblA:
16.68
2e5dB-5xblA:
16.68
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 4 ASP A  91
PHE A  89
ARG A  87
ALA A  54
 None
 1.11A 2e5dA-5xmjA:
undetectable
2e5dB-5xmjA:
undetectable		 2e5dA-5xmjA:
undetectable
2e5dB-5xmjA:
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.
5y4g AMBP3

(Fischerella
ambigua) 		no annotation 4 ASP A 108
ARG A 161
ALA A  20
ARG A  51
 None
 1.26A 2e5dA-5y4gA:
undetectable
2e5dB-5y4gA:
undetectable		 2e5dA-5y4gA:
undetectable
2e5dB-5y4gA:
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.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 4 ASP A 258
ARG A 262
ASP A 371
ARG A 148
 None
 1.13A 2e5dA-6g9oA:
undetectable
2e5dB-6g9oA:
undetectable		 2e5dA-6g9oA:
undetectable
2e5dB-6g9oA:
undetectable