SIMILAR PATTERNS OF AMINO ACIDS FOR 2E5D_A_NCAA1501

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 263
ARG A  27
ASP A 258
TYR A 297
 None
None
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.3A)
 1.10A 2e5dA-1c3rA:
0.2
2e5dB-1c3rA:
0.0		 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 ARG A 282
ALA A 273
ASP A 280
TYR A  47
 None
 1.26A 2e5dA-1djuA:
undetectable
2e5dB-1djuA:
0.0		 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 PHE A 229
ARG A 178
ARG A 304
ASP A 227
 None
 1.12A 2e5dA-1drtA:
undetectable
2e5dB-1drtA:
0.0		 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 ARG C3177
ASP C3171
ALA C3191
ASP C3174
 None
 1.04A 2e5dA-1e6yC:
0.4
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.
1fvi CHLORELLA VIRUS DNA
LIGASE-ADENYLATE

(Chlorella virus) 		PF01068
(DNA_ligase_A_M)
PF14743
(DNA_ligase_OB_2) 		4 ARG A  32
ASP A  99
ASP A  65
TYR A 172
 AMP  A 501 (-4.2A)
None
None
None
 1.06A 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 ARG A 595
ALA A 508
ASP A 502
TYR A 506
 None
 1.18A 2e5dA-1h17A:
1.2
2e5dB-1h17A:
1.4		 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 ARG A 141
ASP A 425
ALA A 430
ASP A 426
 None
 1.24A 2e5dA-1hbzA:
0.0
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 ARG A 162
ASP A 169
ARG A 146
ASP A 163
 None
None
SO4  A 481 (-3.1A)
None
 1.15A 2e5dA-1k7hA:
0.2
2e5dB-1k7hA:
0.5		 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 PHE H 138
ARG F 250
ALA H 188
ASP F 252
 None
 1.19A 2e5dA-1ka9H:
undetectable
2e5dB-1ka9H:
undetectable		 2e5dA-1ka9H:
17.53
2e5dB-1ka9H:
17.53
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.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		4 ARG A 234
ASP A 239
ASP A 238
TYR A 240
 NAD  A 700 (-3.2A)
None
None
None
 1.20A 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 PHE A  98
ALA A  67
ARG A  52
ASP A  97
 HC4  A 130 (-4.9A)
HC4  A 130 (-3.4A)
HC4  A 130 ( 3.9A)
None
 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 ARG A  55
ASP A   6
ALA A  36
ASP A   9
 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 ARG A  72
ASP A 145
ASP A 124
TYR A 231
 G  A1167 ( 4.7A)
None
None
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		4 ARG A1520
ALA A1508
ASP A1502
TYR A1506
 None
 1.12A 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 ARG A1595
ALA A1508
ASP A1502
TYR A1506
 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 ARG A 109
ALA B  45
ASP A  16
TYR B 106
 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
 1.17A 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 ARG A 486
ASP A 560
ASP A 528
TYR A 624
 APK  A 481 ( 4.0A)
None
None
None
 1.07A 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 PHE A 201
ARG A 204
ASP A  35
TYR A  37
 None
 1.14A 2e5dA-1ybeA:
5.4
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 PHE A 178
ARG A 181
ARG A 287
ASP A  20
TYR A  22
 None
SO4  A2001 (-3.5A)
SO4  A2001 (-3.1A)
None
SO4  A2001 (-4.6A)
 0.71A 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.
2bmf RNA HELICASE

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 PHE A 325
ALA A 454
ARG A 458
ASP A 323
 None
 1.08A 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 PHE A 319
ARG A 320
ASP A 533
ASP A 532
 None
 1.22A 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 ARG A 260
ALA A  86
ASP A 256
TYR A 222
 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.
2d0j GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 2

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		4 ASP A 185
ALA A 156
ARG A 155
ASP A 186
 None
 1.09A 2e5dA-2d0jA:
undetectable
2e5dB-2d0jA:
undetectable		 2e5dA-2d0jA:
18.81
2e5dB-2d0jA:
18.81
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.
2gm5 TRANSPOSON
GAMMA-DELTA
RESOLVASE

(Escherichia
coli) 		PF00239
(Resolvase) 		4 ARG A  71
ASP A  36
ARG A  52
ASP A  44
 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 ARG A 171
ASP A 166
ARG A  57
ASP A 169
 None
 1.16A 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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 402
ARG A 401
ASP A 339
TYR A 403
 None
 1.24A 2e5dA-2iikA:
undetectable
2e5dB-2iikA:
undetectable		 2e5dA-2iikA:
23.67
2e5dB-2iikA:
23.67
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 PHE A 165
ARG A 168
ARG A 273
ASP A  11
 None
 1.06A 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.
2okq HYPOTHETICAL PROTEIN
YBAA

(Shigella
flexneri) 		PF07237
(DUF1428) 		4 PHE A 111
ARG A  79
ASP A   5
TYR A 108
 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.
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:
2.1		 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 ARG A 501
ASP A 595
ASP A 641
TYR A 546
 None
 1.12A 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 ALA A 594
ARG A 304
ASP A 401
TYR A 595
 None
None
CA  A 629 (-2.5A)
RAM  A 639 (-4.7A)
 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.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		4 ALA A 578
ARG A 271
ASP A 368
TYR A 579
 None
None
CA  A 621 (-2.6A)
None
 1.16A 2e5dA-2zuyA:
undetectable
2e5dB-2zuyA:
undetectable		 2e5dA-2zuyA:
23.52
2e5dB-2zuyA:
23.52
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.
3b9y AMMONIUM TRANSPORTER
FAMILY RH-LIKE
PROTEIN

(Nitrosomonas
europaea) 		PF00909
(Ammonium_transp) 		4 PHE A 384
ASP A 380
ALA A  69
TYR A  65
 None
 1.08A 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 ARG A  39
ASP A  29
ALA A 165
ASP A  30
 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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		4 ASP A  38
ALA A 125
ARG A 115
ASP A  37
 GOL  A 137 (-2.5A)
GOL  A 137 (-3.6A)
GOL  A 137 (-4.2A)
None
 1.23A 2e5dA-3d9rA:
undetectable
2e5dB-3d9rA:
undetectable		 2e5dA-3d9rA:
12.20
2e5dB-3d9rA:
12.20
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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 PHE A 728
ALA A 707
ASP A 726
TYR A 721
 SUC  A   1 (-3.4A)
None
None
None
 1.08A 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 PHE A 148
ARG A 152
ALA A 179
ASP A 177
 None
 1.26A 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 ARG A 572
ALA C 670
ARG A 506
ASP C 665
 None
 1.13A 2e5dA-3ifqA:
undetectable
2e5dB-3ifqA:
undetectable		 2e5dA-3ifqA:
21.72
2e5dB-3ifqA:
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ASP B  31
ALA B 474
ASP B  32
TYR B  33
 None
 1.21A 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.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 ASP A  22
ALA A 127
ARG A 123
ASP A  21
 None
 1.26A 2e5dA-3j15A:
undetectable
2e5dB-3j15A:
undetectable		 2e5dA-3j15A:
21.85
2e5dB-3j15A:
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.
3kds CELL DIVISION
PROTEIN FTSH

(Thermotoga
maritima) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		4 PHE E 490
ALA E 421
ARG E 418
TYR E 422
 None
 1.25A 2e5dA-3kdsE:
undetectable
2e5dB-3kdsE:
undetectable		 2e5dA-3kdsE:
24.44
2e5dB-3kdsE:
24.44
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 PHE A 502
ARG A 442
ALA A 317
TYR A 316
 None
 1.06A 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 ARG A 426
ASP A 509
ASP A 471
TYR A 579
 AMP  A 901 (-3.8A)
None
None
None
 1.08A 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 ARG A 321
ASP A 316
ARG A 408
ASP A 319
 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.
3n00 REV-ERBA-ALPHA
NUCLEAR RECEPTOR
COREPRESSOR 1

(Homo sapiens;
Homo sapiens) 		PF00104
(Hormone_recep)
no annotation 		4 PHE B2063
ARG B2065
ALA A 454
ARG A 461
 None
 1.09A 2e5dA-3n00B:
undetectable
2e5dB-3n00B:
undetectable		 2e5dA-3n00B:
3.72
2e5dB-3n00B:
3.72
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		4 ASP A 335
ARG A 340
ASP A 362
TYR A 337
 None
 1.22A 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 PHE A 174
ARG A 177
ARG A 282
ASP A  16
TYR A  18
 None
 0.86A 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 ARG A 290
ALA A 158
ARG A 154
ASP A 292
 None
 1.12A 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 PHE A 205
ARG A 273
ALA A 216
ASP A 271
 None
 1.11A 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 ALA A  59
ARG A  55
ASP A  37
TYR A  38
 None
 1.14A 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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		4 ARG A 459
ALA A 185
ARG A 323
ASP A 446
 None
None
FAD  A 801 (-3.4A)
None
 1.14A 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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 278
ASP A 368
ASP A 329
TYR A 438
 ATP  A 701 (-4.3A)
None
None
None
 1.08A 2e5dA-3w1gA:
undetectable
2e5dB-3w1gA:
undetectable		 2e5dA-3w1gA:
22.02
2e5dB-3w1gA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A 347
ASP A 669
ARG A 827
ASP A 298
 None
 1.20A 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 264
ARG A  28
ASP A 259
TYR A 298
 None
None
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.16A 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 ARG A1130
ALA A1143
ASP A1208
TYR A1167
 None
 1.25A 2e5dA-4amcA:
2.6
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 ARG A1133
ALA A1146
ASP A1211
TYR A1170
 None
 1.16A 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 290
ARG A  24
ASP A 285
TYR A 341
 None
None
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.15A 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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A  75
ALA A 429
ARG A  15
ASP A 233
 None
 1.14A 2e5dA-4c23A:
undetectable
2e5dB-4c23A:
undetectable		 2e5dA-4c23A:
24.14
2e5dB-4c23A:
24.14
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 ASP A 116
ALA A 104
ASP A  91
TYR A 114
 None
 1.24A 2e5dA-4e21A:
undetectable
2e5dB-4e21A:
2.9		 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 PHE A 424
ARG A 427
ASP A 423
TYR A 395
 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 PHE A 101
ARG A 328
ALA A 133
ASP A 332
 None
 0.84A 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 ARG A 187
ARG A 292
ASP A  20
TYR A  22
 None
 0.99A 2e5dA-4hl7A:
8.9
2e5dB-4hl7A:
6.0		 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.
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 ARG D  29
ALA C   3
ASP D  14
TYR D  16
 None
 1.01A 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 ARG A 210
ALA A 231
ARG A 276
ASP A 207
 None
 1.13A 2e5dA-4k9qA:
3.2
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 ARG A 158
ALA A  41
ARG A 141
ASP A  66
 None
 0.94A 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
 1.17A 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.
4n18 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Klebsiella
pneumoniae) 		PF02826
(2-Hacid_dh_C) 		4 ARG A 225
ALA A 200
ARG A 203
ASP A  72
 None
 1.20A 2e5dA-4n18A:
undetectable
2e5dB-4n18A:
undetectable		 2e5dA-4n18A:
19.52
2e5dB-4n18A:
19.52
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 ASP A 399
ARG A 507
ASP A 413
TYR A 401
 None
 1.19A 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 ASP A 244
ALA A 127
ARG A  86
TYR A 125
 None
 1.10A 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 PHE A 485
ARG A 483
ARG A  87
ASP A 478
 None
None
SPV  A 704 (-3.8A)
None
 1.15A 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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 ALA A 299
ARG A 296
ASP A 347
TYR A 300
 None
 1.26A 2e5dA-4pfyA:
undetectable
2e5dB-4pfyA:
undetectable		 2e5dA-4pfyA:
24.83
2e5dB-4pfyA:
24.83
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 ARG A 100
ALA A 175
ARG A 172
ASP A 105
 None
 1.13A 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 ARG A  72
ASP A 145
ASP A 124
TYR A 230
 GPL  A  67 (-4.6A)
None
None
None
 1.06A 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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 4 ARG H 644
ALA H 542
ARG H 540
ASP H 763
 None
 1.09A 2e5dA-4qslH:
2.6
2e5dB-4qslH:
2.5		 2e5dA-4qslH:
19.27
2e5dB-4qslH:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wp3 MA1120

(Mycobacterium
avium) 		PF00211
(Guanylate_cyc) 		4 ARG A 143
ALA A  36
ARG A 168
ASP A  61
 None
 1.21A 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 PHE A  70
ARG A   3
ALA A  92
ASP A  71
 None
 1.04A 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 ARG A  27
ASP A 279
ARG A  76
ASP A 269
 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 ARG A  27
ASP A 279
ARG A  76
ASP A 269
 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 PHE A  16
ARG A 376
ARG A  21
ASP A  15
 None
 1.10A 2e5dA-5bzaA:
2.9
2e5dB-5bzaA:
2.7		 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.
5cfe EXODEOXYRIBONUCLEASE

(Bacillus
subtilis) 		PF03372
(Exo_endo_phos) 		4 ARG A 111
ALA A  58
ARG A  91
TYR A  63
 None
 1.20A 2e5dA-5cfeA:
undetectable
2e5dB-5cfeA:
undetectable		 2e5dA-5cfeA:
18.00
2e5dB-5cfeA:
18.00
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.
5cg0 BETA-GLUCOSIDASE

(Spodoptera
frugiperda) 		PF00232
(Glyco_hydro_1) 		4 PHE A 234
ARG A 232
ALA A 168
ARG A 169
 None
 1.15A 2e5dA-5cg0A:
3.0
2e5dB-5cg0A:
2.8		 2e5dA-5cg0A:
24.09
2e5dB-5cg0A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dis SNURPORTIN-1

(Homo sapiens) 		PF11538
(Snurportin1) 		4 ARG C 129
ASP C 187
ASP C 173
TYR C 266
 PRO  C 301 (-4.4A)
None
None
None
 1.11A 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 PHE A 317
ALA A 357
ASP A 318
TYR A 341
 None
 1.26A 2e5dA-5e9gA:
undetectable
2e5dB-5e9gA:
4.0		 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 PHE A  71
ARG A  73
ALA A 110
ASP A  69
 None
 1.23A 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 PHE A 311
ARG A 327
ALA A 407
ASP A 325
 None
None
EDO  A 501 (-3.3A)
None
 1.08A 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 ALA g 376
ARG g 330
ASP g 199
TYR g 203
 None
 1.08A 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 PHE A 249
ALA A 264
ARG A 143
ASP A 250
 None
 1.21A 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 ARG A 222
ALA A  46
ASP A 237
TYR A  42
 None
 1.23A 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.
5lti HEME DEPENDENT
OXIDATIVE
N-DEMETHYLASE

(Pseudomonas
mendocina) 		PF11927
(DUF3445) 		4 PHE A 135
ARG A 115
ASP A 118
ARG A 275
 None
 1.17A 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 PHE B 151
ARG B  72
ASP B 149
ASP B 152
 None
 1.22A 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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 ALA A 319
ARG A  35
ASP A  28
TYR A  72
 None
 1.20A 2e5dA-5n6vA:
2.1
2e5dB-5n6vA:
undetectable		 2e5dA-5n6vA:
undetectable
2e5dB-5n6vA:
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.
5nmi CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL

(Bos taurus;
Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		4 PHE C  63
ARG C  80
ALA D 119
TYR C 256
 None
HEM  C 501 (-3.7A)
None
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 PHE A 285
ARG A 293
ALA A 347
ASP A 342
 None
 1.16A 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 PHE A 285
ARG A 293
ALA A 347
ASP A 342
 None
 1.10A 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 ALA A  70
ARG A 124
ASP A 116
TYR A 120
 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)
 0.29A 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 PHE A 144
ALA A 102
ARG A 105
ASP A  97
 None
 1.26A 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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 4 PHE A 268
ASP A 272
ALA A 368
ARG A 363
 None
 1.19A 2e5dA-6bvdA:
undetectable
2e5dB-6bvdA:
undetectable		 2e5dA-6bvdA:
undetectable
2e5dB-6bvdA:
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 ARG A 262
ASP A 371
ARG A 148
ASP A 258
 None
 1.11A 2e5dA-6g9oA:
undetectable
2e5dB-6g9oA:
undetectable		 2e5dA-6g9oA:
undetectable
2e5dB-6g9oA:
undetectable