SIMILAR PATTERNS OF AMINO ACIDS FOR 4XJE_A_TOYA202_1

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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		4 ASP A 198
ASP A 245
GLU A 247
TYR A 422
 None
 0.98A 4xjeA-1dquA:
0.0		 4xjeA-1dquA:
18.53
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		4 ASP A 210
GLU A 208
ILE A 118
TYR A 190
 None
 1.03A 4xjeA-1fcuA:
0.0		 4xjeA-1fcuA:
17.85
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP B 335
TYR B 205
ASP B 310
ASP B 145
 None
 0.95A 4xjeA-1ffvB:
undetectable		 4xjeA-1ffvB:
13.24
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 ASP A 146
TYR A 196
ASP A 178
ILE A   4
 None
 1.06A 4xjeA-1k1xA:
0.0		 4xjeA-1k1xA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 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 356
ASP A  37
ILE A 104
ASP A  85
 ZN  A 478 (-2.3A)
ZN  A 478 ( 2.1A)
None
None
 1.01A 4xjeA-1k7hA:
0.0		 4xjeA-1k7hA:
17.48
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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		4 ASP A 178
ASP A 174
ASP A   8
TYR A 140
 CA  A 901 (-2.4A)
CA  A 901 ( 3.2A)
CA  A 901 (-3.1A)
None
 0.99A 4xjeA-1l6rA:
3.1		 4xjeA-1l6rA:
19.07
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.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		4 ASP A  90
ASP A  89
GLU A 118
ILE A  75
 None
 0.98A 4xjeA-1mg7A:
undetectable		 4xjeA-1mg7A:
18.11
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ASP A 456
ASP A 459
GLU A 541
ILE A 534
 None
 0.73A 4xjeA-1pwwA:
0.0		 4xjeA-1pwwA:
11.17
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		4 ASP A 252
TYR A 341
ASP A 248
ILE A 291
 None
 1.03A 4xjeA-1qoxA:
0.0		 4xjeA-1qoxA:
16.44
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.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 ASP A  62
TYR A 194
ASP A  70
ILE A 192
 None
 0.92A 4xjeA-1r8yA:
undetectable		 4xjeA-1r8yA:
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		4 ASP A 221
ASP A  10
ASP A 225
ILE A  68
 MG  A1273 (-2.6A)
MG  A1273 ( 2.6A)
MG  A1273 ( 4.4A)
None
 1.05A 4xjeA-1rkqA:
undetectable		 4xjeA-1rkqA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASP A 768
ASP A 765
GLU A 767
ILE A 928
 None
 1.01A 4xjeA-1t46A:
undetectable		 4xjeA-1t46A:
20.63
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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		4 ASP A 186
ASP A 190
ILE A 233
TYR A  39
 MG  A 248 ( 2.8A)
MG  A 247 (-2.9A)
None
None
 1.05A 4xjeA-1tj5A:
2.3		 4xjeA-1tj5A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		4 ASP A 179
ASP A   7
ASP A 183
ILE A  63
 MG  A 240 (-2.5A)
MG  A 240 (-2.5A)
MG  A 240 ( 4.5A)
None
 1.02A 4xjeA-1u02A:
undetectable		 4xjeA-1u02A:
21.18
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		4 ASP A  60
ASP A  63
ILE A  71
ASP A  52
 None
 0.89A 4xjeA-1uc4A:
undetectable		 4xjeA-1uc4A:
16.88
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		4 ASP A 296
ASP A 295
GLU A 260
ASP A 181
 HPR  A 353 (-2.6A)
HPR  A 353 ( 2.5A)
None
None
 0.95A 4xjeA-1uioA:
undetectable		 4xjeA-1uioA:
20.11
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.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM

(Streptococcus
mutans) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ASP A1206
ASP A1009
ASP A1211
ILE A1186
 None
 1.05A 4xjeA-1wviA:
undetectable		 4xjeA-1wviA:
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.
1wzc MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		4 ASP A   8
ASP A 208
ASP A 204
TYR A 172
 MG  A 300 ( 2.5A)
MG  A 300 ( 4.4A)
MG  A 300 (-2.7A)
None
 0.97A 4xjeA-1wzcA:
undetectable		 4xjeA-1wzcA:
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.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		4 ASP A 161
TYR A 203
ASP A 160
ILE A 166
 None
 1.03A 4xjeA-1xcfA:
undetectable		 4xjeA-1xcfA:
23.88
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.
1xq9 PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		4 TYR A 224
ASP A 204
ILE A 233
TYR A 236
 None
 0.85A 4xjeA-1xq9A:
undetectable		 4xjeA-1xq9A:
24.52
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		4 ASP A 231
TYR A 189
ILE A 225
TYR A 200
 None
 1.00A 4xjeA-1zkjA:
undetectable		 4xjeA-1zkjA:
18.18
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 ASP A 324
ASP A 323
GLU A 288
ASP A 211
 None
CO  A1000 (-2.7A)
None
None
 1.02A 4xjeA-2amxA:
undetectable		 4xjeA-2amxA:
18.72
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01156
(IU_nuc_hydro) 		4 ASP A  14
ASP A 247
TYR A 243
ASP A  13
 CA  A1311 ( 2.3A)
RIB  A1312 ( 2.5A)
None
None
 0.81A 4xjeA-2c40A:
undetectable		 4xjeA-2c40A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ASP A  66
ASP A  13
GLU A  38
ILE A 183
 MN  A 502 ( 2.6A)
MN  A 502 (-3.2A)
None
None
 1.00A 4xjeA-2eb0A:
2.3		 4xjeA-2eb0A:
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		4 ASP A 231
ASP A 104
ASP A 101
ILE A  34
 None
 0.87A 4xjeA-2fvzA:
undetectable		 4xjeA-2fvzA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hoq PUTATIVE
HAD-HYDROLASE PH1655

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 ASP A 175
ASP A   8
ASP A 180
ILE A 155
ASP A 118
 None
 1.17A 4xjeA-2hoqA:
undetectable		 4xjeA-2hoqA:
21.83
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.
2kxi PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
meningitidis) 		no annotation 4 ASP A 127
GLU A 126
ILE A 105
TYR A  55
 None
 1.03A 4xjeA-2kxiA:
undetectable		 4xjeA-2kxiA:
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.
2mjp PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01725
(Ham1p_like) 		4 ASP A 191
GLU A 183
ILE A  27
ASP A  30
 None
 1.05A 4xjeA-2mjpA:
undetectable		 4xjeA-2mjpA:
26.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mp4 ACTIN-DEPOLYMERIZING
FACTOR 1, ISOFORMS
A/B

(Caenorhabditis
elegans) 		PF00241
(Cofilin_ADF) 		4 ASP A  56
TYR A  25
ASP A  53
GLU A  24
 None
 0.97A 4xjeA-2mp4A:
undetectable		 4xjeA-2mp4A:
18.09
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 710
ASP A 740
ASP A 709
ILE A 752
 None
 1.01A 4xjeA-2oaeA:
undetectable		 4xjeA-2oaeA:
13.31
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.
2ohw YUEI PROTEIN

(Bacillus
subtilis) 		PF07997
(DUF1694) 		4 ASP A 123
TYR A  51
ASP A 122
GLU A  53
 None
 0.79A 4xjeA-2ohwA:
undetectable		 4xjeA-2ohwA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		4 ASP A 212
ASP A  87
ASP A  84
ILE A  19
 EEE  A 376 ( 4.7A)
EEE  A 376 (-2.7A)
None
None
 1.02A 4xjeA-2qflA:
undetectable		 4xjeA-2qflA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A1022
ASP A1021
ASP A1023
ILE A 975
 CA  A  15 (-3.1A)
CA  A  13 (-2.4A)
CA  A  15 ( 2.5A)
None
 0.99A 4xjeA-2rhpA:
undetectable		 4xjeA-2rhpA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 ASP A  12
ASP A  11
ASP A  13
ILE A 218
 None
 0.91A 4xjeA-2vw8A:
undetectable		 4xjeA-2vw8A:
20.32
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 ASP A 213
TYR A 240
ASP A 209
ILE A 220
 None
 1.04A 4xjeA-2whlA:
undetectable		 4xjeA-2whlA:
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		4 ASP A 311
ILE A 180
ASP A 423
TYR A 420
 None
 0.84A 4xjeA-2xalA:
undetectable		 4xjeA-2xalA:
16.89
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 TYR A 352
ASP A 338
ILE A 343
ASP A 358
 None
 0.90A 4xjeA-2xd3A:
undetectable		 4xjeA-2xd3A:
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 TYR A 439
ASP A 418
ILE A 424
TYR A 714
 None
 1.03A 4xjeA-2y6iA:
undetectable		 4xjeA-2y6iA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 ASP A 339
ASP A 338
TYR A  59
ASP A 337
 None
 0.88A 4xjeA-3a9gA:
undetectable		 4xjeA-3a9gA:
20.48
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 ASP A  97
ILE A 507
ASP A 500
TYR A 561
 None
 1.00A 4xjeA-3ayfA:
undetectable		 4xjeA-3ayfA:
13.00
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		4 ASP A 224
ASP A  84
ASP A  81
ILE A  14
 None
SO4  A 269 ( 4.2A)
None
None
 1.03A 4xjeA-3b8bA:
undetectable		 4xjeA-3b8bA:
23.57
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.
3cg4 RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN (CHEY-LIKE)

(Methanospirillum
hungatei) 		PF00072
(Response_reg) 		4 ASP A  13
ASP A  56
ASP A  12
ILE A 106
 MG  A 201 (-2.9A)
MG  A 201 (-2.6A)
MG  A 201 ( 4.2A)
None
 1.02A 4xjeA-3cg4A:
undetectable		 4xjeA-3cg4A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e5b ISOCITRATE LYASE

(Brucella
abortus) 		PF00463
(ICL) 		4 ASP A 177
ASP A 224
GLU A 226
TYR A 308
 None
 1.01A 4xjeA-3e5bA:
undetectable		 4xjeA-3e5bA:
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 594
ASP A 593
ASP A 595
ILE A 547
 CA  A 829 (-3.5A)
CA  A 827 (-2.4A)
CA  A 829 ( 2.4A)
None
 0.97A 4xjeA-3fbyA:
undetectable		 4xjeA-3fbyA:
15.48
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.
3g7g UPF0311 PROTEIN
CA_C3321

(Clostridium
acetobutylicum) 		PF11578
(DUF3237) 		4 ASP A  82
TYR A 131
ASP A  83
ILE A  79
 None
 0.87A 4xjeA-3g7gA:
undetectable		 4xjeA-3g7gA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyg NTD BIOSYNTHESIS
OPERON PUTATIVE
HYDROLASE NTDB

(Bacillus
subtilis) 		PF05116
(S6PP) 		4 ASP A 232
ASP A  25
ASP A 236
ILE A 212
 MG  A 301 (-2.7A)
MG  A 301 (-2.6A)
MG  A 301 ( 4.3A)
None
 1.00A 4xjeA-3gygA:
undetectable		 4xjeA-3gygA:
18.77
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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		4 ASP A  68
TYR A 210
ASP A  64
ILE A 217
 None
 0.84A 4xjeA-3h4lA:
undetectable		 4xjeA-3h4lA:
16.71
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.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		4 ASP A 184
ASP A 231
GLU A 233
TYR A 313
 None
 0.89A 4xjeA-3i4eA:
undetectable		 4xjeA-3i4eA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		4 ASP A 244
TYR A 271
ASP A 240
ILE A 251
 None
 1.04A 4xjeA-3jugA:
undetectable		 4xjeA-3jugA:
21.53
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.
3kyl TELOMERASE REVERSE
TRANSCRIPTASE

(Tribolium
castaneum) 		PF00078
(RVT_1)
PF12009
(Telomerase_RBD) 		4 ASP A 343
ASP A 344
ASP A 251
ILE A 387
 MG  A 597 (-3.1A)
MG  A 597 (-2.6A)
MG  A 597 (-2.9A)
None
 1.06A 4xjeA-3kylA:
1.5		 4xjeA-3kylA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 ASP A 416
ASP A 415
GLU A 380
ASP A 297
 CFE  A 513 (-2.8A)
CFE  A 513 ( 2.8A)
None
None
 1.04A 4xjeA-3lggA:
undetectable		 4xjeA-3lggA:
16.17
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		4 ASP A  59
GLU A 231
ILE A 211
ASP A  83
 None
 1.00A 4xjeA-3llxA:
undetectable		 4xjeA-3llxA:
19.13
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.
3lnt 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Burkholderia
pseudomallei) 		PF00300
(His_Phos_1) 		4 TYR A 214
ASP A 194
ILE A 223
TYR A 226
 None
 0.88A 4xjeA-3lntA:
undetectable		 4xjeA-3lntA:
23.83
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.
3nat UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF11217
(DUF3013) 		4 ASP A  28
TYR A  84
GLU A  35
ILE A  37
 None
 0.98A 4xjeA-3natA:
undetectable		 4xjeA-3natA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppu GLUTATHIONE-S-TRANSF
ERASE

(Phanerochaete
chrysosporium) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 199
ASP A 208
GLU A 265
ILE A 178
 None
 0.95A 4xjeA-3ppuA:
0.7		 4xjeA-3ppuA:
19.01
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ASP A 209
ASP A  11
ASP A 214
ILE A 189
 CA  A 503 (-2.7A)
CA  A 503 (-2.2A)
CA  A 503 ( 4.4A)
None
 1.05A 4xjeA-3qgmA:
undetectable		 4xjeA-3qgmA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8y CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 ASP A  13
ASP A  58
ASP A  12
ILE A 107
 PB  A 145 (-2.7A)
PB  A 145 (-2.3A)
PB  A 145 ( 4.4A)
None
 1.04A 4xjeA-3t8yA:
undetectable		 4xjeA-3t8yA:
22.92
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 ASP A 702
ASP A 351
ASP A 706
ILE A 686
 MG  A1005 (-2.2A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.7A)
None
 1.05A 4xjeA-3tlmA:
undetectable		 4xjeA-3tlmA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 ASP A 261
TYR A 119
ASP A 260
TYR A 369
 None
 0.96A 4xjeA-3vgjA:
2.1		 4xjeA-3vgjA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1027
ASP A1067
ASP A1062
ILE A1123
 None
 1.01A 4xjeA-4amcA:
undetectable		 4xjeA-4amcA:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 TYR A 439
ASP A 418
ILE A 424
TYR A 714
 None
 1.01A 4xjeA-4areA:
2.3		 4xjeA-4areA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		4 ASP A 317
GLU A 316
ILE A 304
ASP A 398
 None
 1.00A 4xjeA-4at0A:
undetectable		 4xjeA-4at0A:
19.02
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ASP A1028
ASP A1069
ASP A1064
ILE A1126
 GOL  A2792 (-3.4A)
GOL  A2792 (-3.7A)
None
None
 0.90A 4xjeA-4aygA:
2.1		 4xjeA-4aygA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ASP A 363
GLU A 357
ILE A 299
ASP A 604
 None
 0.62A 4xjeA-4bziA:
undetectable		 4xjeA-4bziA:
12.01
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.
4d6y BACTERIAL
REGULATORY, FIS
FAMILY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg) 		4 ASP A  10
ASP A  53
ASP A   9
ILE A 103
 MG  A1126 (-2.6A)
BEF  A1125 ( 2.2A)
MG  A1126 ( 4.1A)
None
 1.00A 4xjeA-4d6yA:
undetectable		 4xjeA-4d6yA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF08676
(MutL_C)
PF16413
(Mlh1_C) 		4 ASP A 752
ASP A 561
ASP B 870
TYR B 871
 None
 1.02A 4xjeA-4e4wA:
undetectable		 4xjeA-4e4wA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		4 TYR A 219
ASP A 199
ILE A 228
TYR A 231
 None
 0.78A 4xjeA-4embA:
undetectable		 4xjeA-4embA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 160
ASP A 169
GLU A 226
ILE A 142
 None
 0.93A 4xjeA-4fquA:
undetectable		 4xjeA-4fquA:
19.11
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 ASP A 198
TYR A 526
GLU A 547
ILE A 558
 None
 0.94A 4xjeA-4fzhA:
undetectable		 4xjeA-4fzhA:
15.85
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A 229
GLU A 155
ILE A 152
ASP A  89
 None
 0.87A 4xjeA-4gp1A:
undetectable		 4xjeA-4gp1A:
21.20
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.
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio cholerae) 		PF00072
(Response_reg) 		4 ASP A  16
ASP A  60
ASP A  15
ILE A 110
 MG  A 201 (-2.6A)
BEF  A 202 ( 2.0A)
MG  A 201 ( 4.3A)
None
 1.03A 4xjeA-4hnsA:
undetectable		 4xjeA-4hnsA:
24.18
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		4 ASP A  11
TYR A 459
ILE A 188
ASP A 471
 None
 1.01A 4xjeA-4issA:
undetectable		 4xjeA-4issA:
15.76
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 ASP A  13
ASP A 339
ILE A 104
ASP A  91
 MN  A 501 (-2.0A)
MN  A 501 (-2.2A)
None
TPO  A  92 ( 4.0A)
 1.02A 4xjeA-4n7tA:
2.7		 4xjeA-4n7tA:
18.91
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		4 ASP A 210
ASP A  89
ASP A  86
ILE A  24
 SO4  A 301 (-3.7A)
SO4  A 301 (-4.1A)
SO4  A 301 (-3.3A)
None
 1.02A 4xjeA-4n81A:
undetectable		 4xjeA-4n81A:
20.45
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.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		4 ASP A 259
ASP A 255
ASP A 256
GLU A 252
 None
 1.05A 4xjeA-4po0A:
undetectable		 4xjeA-4po0A:
15.95
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.
4qxd 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		4 ASP A 223
ASP A 109
ASP A 106
ILE A  23
 MG  A 304 (-2.6A)
MG  A 304 ( 3.2A)
MG  A 302 (-2.4A)
None
 0.85A 4xjeA-4qxdA:
undetectable		 4xjeA-4qxdA:
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.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 TYR A 168
ASP A 177
GLU A 234
ILE A 149
 None
 0.99A 4xjeA-4ussA:
undetectable		 4xjeA-4ussA:
21.88
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.
4wk5 GERANYLTRANSTRANSFER
ASE

(Thermotoga
neapolitana) 		PF00348
(polyprenyl_synt) 		4 ASP A 205
ASP A 201
TYR A 160
ASP A 202
 None
 0.83A 4xjeA-4wk5A:
1.5		 4xjeA-4wk5A:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wql 2''-AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Klebsiella
pneumoniae) 		PF10706
(Aminoglyc_resit) 		8 ASP A  44
ASP A  46
TYR A  74
ASP A  86
GLU A  88
ILE A  99
ASP A 131
TYR A 134
 MG  A 202 (-2.5A)
MG  A 201 (-2.4A)
KAN  A 203 (-3.8A)
KAN  A 203 ( 3.2A)
KAN  A 203 ( 2.6A)
GOL  A 213 ( 4.3A)
KAN  A 203 ( 2.7A)
KAN  A 203 (-3.8A)
 0.48A 4xjeA-4wqlA:
31.9		 4xjeA-4wqlA:
95.68
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.
4x27 FUSOLIN

(Entomopoxvirinae) 		PF03067
(LPMO_10) 		4 ASP A 347
ASP A 343
ASP A 344
GLU A 340
 None
 1.05A 4xjeA-4x27A:
undetectable		 4xjeA-4x27A:
14.48
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.
4y0x SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16919
(PknG_rubred) 		4 ASP A 293
ASP A 276
TYR A 305
ILE A 317
 MG  A 504 (-2.3A)
None
None
None
 0.89A 4xjeA-4y0xA:
undetectable		 4xjeA-4y0xA:
18.55
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.
4yru NEURONAL CALCIUM
SENSOR 1

(Rattus
norvegicus) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		4 ASP A 161
ASP A 157
ILE A 152
TYR A 108
 CA  A 203 (-2.4A)
CA  A 203 (-3.3A)
None
None
 1.04A 4xjeA-4yruA:
undetectable		 4xjeA-4yruA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzi SENSORY OPSIN
A,ARCHAEAL-TYPE
OPSIN 2

(Chlamydomonas
reinhardtii) 		PF01036
(Bac_rhodopsin) 		4 ASP A  40
ASP A 142
TYR A 148
GLU A 143
 ZN  A 407 (-2.8A)
ZN  A 407 ( 2.3A)
None
None
 0.99A 4xjeA-4yziA:
undetectable		 4xjeA-4yziA:
20.20
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.
4zyo ACYL-COA DESATURASE

(Homo sapiens) 		no annotation 4 ASP A 325
ILE A 344
ASP A 307
TYR A 306
 None
 0.94A 4xjeA-4zyoA:
1.0		 4xjeA-4zyoA:
19.81
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.
5c0p ENDO-ARABINASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 ASP A 161
TYR A 256
ASP A 230
ILE A 219
 TRS  A 409 (-2.8A)
None
TRS  A 409 (-3.3A)
None
 0.94A 4xjeA-5c0pA:
undetectable		 4xjeA-5c0pA:
20.71
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ASP A 369
TYR A 455
ASP A 370
ASP A 475
 None
 1.01A 4xjeA-5d79A:
undetectable		 4xjeA-5d79A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		4 ASP A 264
ASP A 265
ILE A 261
ASP A 396
 None
 0.89A 4xjeA-5eebA:
undetectable		 4xjeA-5eebA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 ASP A  83
ASP A 208
ASP A  86
GLU A 187
 None
None
None
PO4  A 301 (-2.7A)
 1.02A 4xjeA-5i3sA:
undetectable		 4xjeA-5i3sA:
20.29
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.
5i3s INOSITOL
MONOPHOSPHATASE
FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		4 ASP A 208
ASP A  86
ASP A  83
ILE A  18
 None
 0.93A 4xjeA-5i3sA:
undetectable		 4xjeA-5i3sA:
20.29
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASP A  11
TYR A 459
ILE A 188
ASP A 471
 None
 0.98A 4xjeA-5i8iA:
2.8		 4xjeA-5i8iA:
7.37
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		4 ASP A 409
ASP A 414
ILE A 469
TYR A 462
 None
 1.03A 4xjeA-5icqA:
undetectable		 4xjeA-5icqA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 ASP A 145
GLU A 547
ILE A 512
TYR A 324
 None
 1.03A 4xjeA-5kcaA:
undetectable		 4xjeA-5kcaA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vve PHOSPHOGLYCERATE
MUTASE

(Naegleria
fowleri) 		PF00300
(His_Phos_1) 		4 TYR A 215
ASP A 195
ILE A 224
TYR A 227
 None
 0.86A 4xjeA-5vveA:
undetectable		 4xjeA-5vveA:
24.52
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 4 ASP A 121
ASP A 123
GLU A 169
ILE A 162
 None
 0.98A 4xjeA-5xexA:
undetectable		 4xjeA-5xexA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog RNA POLYMERASE II
SUBUNIT B12.5
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE
RNA POLYMERASE
SUBUNIT ABC10-ALPHA
SPT4/5 COMPLEX
COMPONENT

(Komagataella
phaffii) 		PF00467
(KOW)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF03604
(DNA_RNApol_7kD)
PF13656
(RNA_pol_L_2) 		4 ASP C  46
ASP L  70
ILE W 789
ASP K   5
 None
 0.90A 4xjeA-5xogC:
undetectable		 4xjeA-5xogC:
21.57
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.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 4 ASP A 265
ASP A 262
ILE A 150
ASP A 189
 None
 0.79A 4xjeA-6ay4A:
1.1		 4xjeA-6ay4A:
18.76
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.
6b67 PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		no annotation 4 ASP A  38
ASP A  60
GLU A 146
ASP A 243
 None
CA  A 302 ( 2.8A)
CA  A 303 ( 4.9A)
CA  A 303 (-2.5A)
 0.88A 4xjeA-6b67A:
undetectable		 4xjeA-6b67A:
19.28
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.
6cj0 TREHALOSE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 220
ASP A  11
ASP A 224
ILE A  84
 MG  A 301 (-2.9A)
MG  A 301 ( 2.3A)
MG  A 301 ( 4.6A)
None
 0.99A 4xjeA-6cj0A:
undetectable		 4xjeA-6cj0A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ekg CHEMOTAXIS PROTEIN
CHEY

(Methanococcus
maripaludis) 		no annotation 4 ASP Y  12
ASP Y  57
ASP Y  11
ILE Y 105
 MG  Y 201 (-2.6A)
MG  Y 201 (-2.5A)
MG  Y 201 ( 4.5A)
None
 0.96A 4xjeA-6ekgY:
undetectable		 4xjeA-6ekgY:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ASP A 289
ASP A 287
GLU A 227
ILE A 162
 None
 1.01A 4xjeA-6fhwA:
undetectable		 4xjeA-6fhwA:
24.31