SIMILAR PATTERNS OF AMINO ACIDS FOR 4MX0_A_BCZA513

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU N 119
LEU N 134
ARG N 152
ARG N 156
TRP N 178
SER N 179
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
TYR N 406
 None
 0.52A 4mx0A-1nmbN:
72.8		 4mx0A-1nmbN:
78.09
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.
1sd5 PUTATIVE
ANTITERMINATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF03861
(ANTAR) 		5 GLU A 170
LEU A 127
ARG A 131
SER A 130
ALA A 192
 None
 1.46A 4mx0A-1sd5A:
undetectable		 4mx0A-1sd5A:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 379
ARG A 414
SER A 232
GLU A 380
TYR A 478
 None
 1.21A 4mx0A-1typA:
undetectable		 4mx0A-1typA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 125
LEU A 140
ARG A 158
ARG A 162
TRP A 185
SER A 186
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
TYR A 412
 None
 0.26A 4mx0A-1v0zA:
72.8		 4mx0A-1v0zA:
68.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ARG A 150
ARG A 154
TRP A 177
SER A 178
GLU A 275
 IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.2A)
IBA  A   1 (-4.1A)
 1.42A 4mx0A-1vcjA:
53.8		 4mx0A-1vcjA:
31.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ARG A 150
TRP A 177
ARG A 223
GLU A 275
TYR A 409
 IBA  A   1 (-3.9A)
None
IBA  A   1 ( 4.5A)
IBA  A   1 (-4.1A)
None
 1.23A 4mx0A-1vcjA:
53.8		 4mx0A-1vcjA:
31.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		11 GLU A 117
LEU A 132
ARG A 150
ARG A 154
TRP A 177
SER A 178
ARG A 223
GLU A 226
ALA A 245
GLU A 276
TYR A 409
 IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
None
IBA  A   1 ( 4.2A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
None
 0.54A 4mx0A-1vcjA:
53.8		 4mx0A-1vcjA:
31.45
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.
1vlc 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		5 LEU A 136
ARG A 134
SER A 263
ALA A 290
GLU A 271
 None
 1.41A 4mx0A-1vlcA:
undetectable		 4mx0A-1vlcA:
22.93
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 LEU A 452
SER A 449
ARG A 446
GLU A 443
TYR A 410
 None
 1.50A 4mx0A-1woyA:
undetectable		 4mx0A-1woyA:
18.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 120
LEU A 135
ARG A 153
ARG A 157
TRP A 180
SER A 181
ARG A 226
GLU A 229
ALA A 248
GLU A 278
GLU A 279
TYR A 406
 ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.3A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-4.9A)
 0.49A 4mx0A-1xogA:
74.5		 4mx0A-1xogA:
94.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0w LMO2234 PROTEIN

(Listeria
monocytogenes) 		PF01261
(AP_endonuc_2) 		5 LEU A 115
ARG A 211
SER A 147
GLU A 142
TYR A  77
 None
None
None
MG  A 501 (-2.5A)
None
 1.41A 4mx0A-2g0wA:
undetectable		 4mx0A-2g0wA:
21.71
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.
2gf5 FADD PROTEIN

(Homo sapiens) 		PF00531
(Death)
PF01335
(DED) 		5 GLU A  19
LEU A  15
ARG A  71
ARG A  72
GLU A  22
 None
 1.27A 4mx0A-2gf5A:
undetectable		 4mx0A-2gf5A:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
ARG A 224
GLU A 276
GLU A 277
TYR A 406
 None
 1.22A 4mx0A-2htvA:
62.6		 4mx0A-2htvA:
42.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		10 LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
GLU A 276
GLU A 277
TYR A 406
 None
 0.62A 4mx0A-2htvA:
62.6		 4mx0A-2htvA:
42.75
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.
2jz0 PROTEIN DOUBLESEX

(Drosophila
melanogaster) 		PF08828
(DSX_dimer) 		5 LEU A  16
ARG A  47
SER A  45
ARG A  46
GLU A  42
 None
 1.01A 4mx0A-2jz0A:
undetectable		 4mx0A-2jz0A:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qni UNCHARACTERIZED
PROTEIN ATU0299

(Agrobacterium
fabrum) 		PF00300
(His_Phos_1) 		5 ARG A  52
GLU A  51
ALA A 213
GLU A 215
GLU A  55
 None
 1.31A 4mx0A-2qniA:
undetectable		 4mx0A-2qniA:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLU G 196
ARG G 203
SER G 198
ARG G 202
ALA G 131
 None
 1.30A 4mx0A-2vdcG:
undetectable		 4mx0A-2vdcG:
22.04
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 GLU A 114
ARG A 111
ARG A 118
GLU A 121
GLU A 117
 None
UP2  A1268 (-3.8A)
None
None
None
 1.41A 4mx0A-2ybqA:
undetectable		 4mx0A-2ybqA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
GLU A 276
GLU A 277
TYR A 406
 ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
None
ZMR  A 469 ( 4.6A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-4.7A)
 0.71A 4mx0A-3ckzA:
64.1		 4mx0A-3ckzA:
47.95
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.
3n0r RESPONSE REGULATOR

(Caulobacter
vibrioides) 		PF00072
(Response_reg) 		5 GLU A 106
LEU A 105
ARG A  19
ARG A  16
TYR A  57
 None
 1.45A 4mx0A-3n0rA:
undetectable		 4mx0A-3n0rA:
20.55
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 LEU A 118
ALA A 252
GLU A 350
GLU A 352
TYR A 421
 P6G  A 485 ( 4.9A)
None
None
P6G  A 485 (-3.2A)
P6G  A 485 (-4.1A)
 1.45A 4mx0A-3om5A:
10.5		 4mx0A-3om5A:
23.21
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 LEU A 375
ARG A 359
GLU A 370
ALA A  82
GLU A 351
 None
 1.39A 4mx0A-3t8lA:
undetectable		 4mx0A-3t8lA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 LNV  A 901 (-3.6A)
None
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
None
LNV  A 901 ( 4.6A)
LNV  A 901 (-4.1A)
LNV  A 901 (-3.4A)
LNV  A 901 (-3.5A)
LNV  A 901 (-2.9A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-4.8A)
 0.47A 4mx0A-3ti8A:
64.8		 4mx0A-3ti8A:
43.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
None
LNV  A 801 ( 4.7A)
LNV  A 801 (-4.2A)
LNV  A 801 (-3.5A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
LNV  A 801 (-3.8A)
LNV  A 801 (-4.4A)
 0.46A 4mx0A-3tiaA:
64.6		 4mx0A-3tiaA:
42.07
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.
3u1h 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus sp.
(in: Bacteria)) 		PF00180
(Iso_dh) 		5 LEU A 101
ARG A 134
SER A 266
ARG A 106
GLU A 276
 None
 1.35A 4mx0A-3u1hA:
undetectable		 4mx0A-3u1hA:
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLU B  66
SER B  76
ARG B  73
GLU B  64
GLU B  20
 None
 1.28A 4mx0A-3w0lB:
undetectable		 4mx0A-3w0lB:
21.29
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 GLU A2156
LEU A2155
SER A2153
ARG A2151
GLU A2124
 None
 1.43A 4mx0A-4asiA:
undetectable		 4mx0A-4asiA:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 179
SER A 180
ARG A 225
GLU A 228
GLU A 277
GLU A 278
TYR A 402
 G39  A1470 (-3.5A)
None
G39  A1470 (-3.9A)
None
None
G39  A1470 ( 4.5A)
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-4.5A)
 0.41A 4mx0A-4b7jA:
64.2		 4mx0A-4b7jA:
40.55
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		12 GLU A 116
LEU A 131
ARG A 149
ARG A 153
TRP A 176
SER A 177
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
TYR A 408
 ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
None
ZMR  A 700 ( 4.6A)
ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-4.6A)
 0.56A 4mx0A-4cpnA:
54.2		 4mx0A-4cpnA:
28.72
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 LEU A 104
ARG A 107
SER A 103
ARG A 218
GLU A 207
 None
 1.43A 4mx0A-4eeiA:
undetectable		 4mx0A-4eeiA:
20.51
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.
4gpr UBIQUITIN-CONJUGATIN
G ENZYME FAMILY
PROTEIN

(Entamoeba
histolytica) 		PF00179
(UQ_con) 		5 GLU A   9
LEU A  99
ARG A 101
SER A 100
GLU A  12
 None
 1.28A 4mx0A-4gprA:
undetectable		 4mx0A-4gprA:
16.22
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.
4grl MHC CLASS II
HLA-DQ-ALPHA CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		5 GLU A  25
LEU A 138
SER A 136
GLU A  30
ALA A  59
 None
 1.08A 4mx0A-4grlA:
undetectable		 4mx0A-4grlA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.8A)
None
None
SLB  A 512 ( 4.4A)
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
 0.45A 4mx0A-4h53A:
64.6		 4mx0A-4h53A:
49.23
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.
4hxt DE NOVO PROTEIN
OR329

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 150
ARG A 108
GLU A 143
ALA A  69
GLU A 105
 None
 1.19A 4mx0A-4hxtA:
undetectable		 4mx0A-4hxtA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 G39  A 509 (-3.3A)
None
G39  A 509 (-3.9A)
None
None
G39  A 509 ( 4.5A)
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-4.6A)
 0.39A 4mx0A-4hzzA:
62.9		 4mx0A-4hzzA:
48.36
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.
4imd N-ACETYLNEURAMINATE
LYASE

(Pasteurella
multocida) 		PF00701
(DHDPS) 		5 GLU A  58
LEU A  54
ARG A 269
GLU A  23
GLU A  61
 None
 1.27A 4mx0A-4imdA:
undetectable		 4mx0A-4imdA:
21.61
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.
4iru LEPB

(Legionella
pneumophila) 		no annotation 5 LEU A 614
SER A 576
ARG A 573
GLU A 572
GLU A 534
 None
 1.26A 4mx0A-4iruA:
undetectable		 4mx0A-4iruA:
21.61
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.
4mj3 HALOALKANE
DEHALOGENASE

(Mycolicibacterium
rhodesiae) 		PF00561
(Abhydrolase_1) 		5 LEU A  81
TRP A 124
ARG A 131
ALA A 231
GLU A 135
 None
CL  A 401 (-4.7A)
None
None
None
 1.43A 4mx0A-4mj3A:
undetectable		 4mx0A-4mj3A:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		9 GLU A 119
LEU A 134
ARG A 152
TRP A 178
ARG A 224
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 27S  A 501 (-3.4A)
None
27S  A 501 (-4.2A)
None
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-4.6A)
 1.05A 4mx0A-4mjuA:
62.4		 4mx0A-4mjuA:
43.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		11 LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 None
27S  A 501 (-4.2A)
None
None
27S  A 501 ( 4.6A)
27S  A 501 (-4.3A)
27S  A 501 (-3.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-4.6A)
 0.44A 4mx0A-4mjuA:
62.4		 4mx0A-4mjuA:
43.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 GLU A  37
LEU A  52
ARG A  70
ARG A  74
TRP A  97
SER A  98
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
TYR A 324
 None
 0.31A 4mx0A-4qn3A:
71.0		 4mx0A-4qn3A:
61.79
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 150
ARG A 108
GLU A 143
ALA A  69
GLU A 105
 None
 1.13A 4mx0A-4rv1A:
undetectable		 4mx0A-4rv1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 192
ARG A 150
GLU A 185
ALA A 111
GLU A 147
 None
 1.10A 4mx0A-4rv1A:
undetectable		 4mx0A-4rv1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 234
ARG A 192
GLU A 227
ALA A 153
GLU A 189
 None
 1.21A 4mx0A-4rv1A:
undetectable		 4mx0A-4rv1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 276
ARG A 234
GLU A 269
ALA A 195
GLU A 231
 None
 1.21A 4mx0A-4rv1A:
undetectable		 4mx0A-4rv1A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 249
ARG A 251
GLU A 267
ALA A 459
GLU A 487
 None
LAD  A1584 (-2.3A)
LAD  A1584 (-3.3A)
None
LAD  A1584 (-2.6A)
 1.30A 4mx0A-4up7A:
undetectable		 4mx0A-4up7A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		5 ARG A  40
TRP A  51
SER A  41
ALA A  70
GLU A 343
 None
 1.44A 4mx0A-4wl2A:
undetectable		 4mx0A-4wl2A:
23.04
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.
4xwi 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF02348
(CTP_transf_3) 		5 GLU A  82
LEU A 197
ARG A  80
ALA A  72
GLU A  83
 None
 1.49A 4mx0A-4xwiA:
undetectable		 4mx0A-4xwiA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 950
ARG A 946
GLU A 949
GLU A 807
TYR A 961
 None
 1.32A 4mx0A-4z7gA:
undetectable		 4mx0A-4z7gA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zd6 HALOHYDRIN EPOXIDASE
B

(Corynebacterium
sp.) 		PF13561
(adh_short_C2) 		5 ARG A 174
TRP A 171
GLU A 168
ALA A 128
TYR A  19
 None
 1.28A 4mx0A-4zd6A:
undetectable		 4mx0A-4zd6A:
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 LEU I  45
ARG I 275
ALA I 170
GLU I 173
TYR I 270
 None
PO4  I 701 (-2.7A)
PO4  I 701 ( 4.5A)
None
None
 1.46A 4mx0A-5b04I:
undetectable		 4mx0A-5b04I:
19.60
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 GLU A 311
LEU A 313
ARG A 353
SER A 312
TYR A 309
 None
 1.48A 4mx0A-5l6sA:
undetectable		 4mx0A-5l6sA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 LEU O  11
ARG O  15
GLU O  30
GLU O  35
GLU O  34
 None
 1.14A 4mx0A-5mpdO:
undetectable		 4mx0A-5mpdO:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo sapiens) 		no annotation 5 GLU B 209
SER B 208
ARG B 313
ALA B 307
GLU B 287
 None
 1.30A 4mx0A-5yewB:
undetectable		 4mx0A-5yewB:
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406
 E3M  A 511 (-3.6A)
None
E3M  A 511 (-3.8A)
None
None
E3M  A 511 ( 4.0A)
E3M  A 511 (-3.8A)
E3M  A 511 ( 4.8A)
E3M  A 511 (-3.1A)
E3M  A 511 (-2.3A)
E3M  A 511 ( 3.6A)
E3M  A 511 (-4.5A)
 0.45A 4mx0A-6br6A:
64.4		 4mx0A-6br6A:
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 SER A  86
GLU A  89
ALA A 371
GLU A  66
TYR A  64
 None
 1.38A 4mx0A-6d6kA:
undetectable		 4mx0A-6d6kA:
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 5 GLU C 245
ARG C 215
SER C 249
ARG C 250
GLU C 246
 None
 1.38A 4mx0A-6fkxC:
undetectable		 4mx0A-6fkxC:
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.
1c8u ACYL-COA
THIOESTERASE II

(Escherichia
coli) 		PF13622
(4HBT_3) 		3 ARG A 161
ASP A 128
ARG A 183
 None
 0.99A 4mx0A-1c8uA:
undetectable		 4mx0A-1c8uA:
21.07
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		3 ARG A 659
ASP A 159
ARG A 655
 None
 0.86A 4mx0A-1g0dA:
undetectable		 4mx0A-1g0dA:
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.
1gvh FLAVOHEMOPROTEIN

(Escherichia
coli) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 ARG A 163
ASP A 306
ARG A 218
 None
 0.82A 4mx0A-1gvhA:
undetectable		 4mx0A-1gvhA:
21.24
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 ARG A 311
ASP A 304
ARG A 786
 None
 1.01A 4mx0A-1h0hA:
undetectable		 4mx0A-1h0hA:
17.11
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		3 ARG A 269
ASP A 167
ARG A 442
 None
 1.02A 4mx0A-1i7qA:
undetectable		 4mx0A-1i7qA:
18.98
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.
1k9a CARBOXYL-TERMINAL
SRC KINASE

(Rattus
norvegicus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		3 ARG A 384
ASP A 409
ARG A 389
 None
 0.84A 4mx0A-1k9aA:
undetectable		 4mx0A-1k9aA:
19.20
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		3 ARG A 253
ASP A 206
ARG A 146
 None
None
SO4  A 600 ( 3.6A)
 0.73A 4mx0A-1kzhA:
undetectable		 4mx0A-1kzhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		3 ARG A  35
ASP A  59
ARG A 314
 DAN  A 700 (-3.0A)
DAN  A 700 (-2.7A)
DAN  A 700 (-3.0A)
 0.78A 4mx0A-1ms8A:
19.9		 4mx0A-1ms8A:
21.08
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		3 ARG A  36
ASP A  60
ARG A 315
 None
 0.54A 4mx0A-1mz5A:
20.7		 4mx0A-1mz5A:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG N 118
ASP N 151
ARG N 371
 None
 0.84A 4mx0A-1nmbN:
72.8		 4mx0A-1nmbN:
78.09
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		3 ARG A 540
ASP A 278
ARG A 519
 None
 0.80A 4mx0A-1ot5A:
undetectable		 4mx0A-1ot5A:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 124
ASP A 157
ARG A 378
 None
 0.18A 4mx0A-1v0zA:
72.8		 4mx0A-1v0zA:
68.64
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.
1v33 DNA PRIMASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF01896
(DNA_primase_S) 		3 ARG A  11
ASP A  40
ARG A   8
 None
 0.98A 4mx0A-1v33A:
undetectable		 4mx0A-1v33A:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcj NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		3 ARG A 116
ASP A 149
ARG A 374
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.6A)
IBA  A   1 (-3.2A)
 0.61A 4mx0A-1vcjA:
53.8		 4mx0A-1vcjA:
31.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 119
ASP A 152
ARG A 372
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
ABW  A1000 (-2.8A)
 0.50A 4mx0A-1xogA:
74.5		 4mx0A-1xogA:
94.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yis ADENYLOSUCCINATE
LYASE

(Caenorhabditis
elegans) 		PF00206
(Lyase_1) 		3 ARG A 241
ASP A 116
ARG A 325
 None
 0.85A 4mx0A-1yisA:
undetectable		 4mx0A-1yisA:
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		3 ARG A 334
ASP A 330
ARG A 177
 None
 0.84A 4mx0A-1yt8A:
undetectable		 4mx0A-1yt8A:
20.07
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		3 ARG A 266
ASP A 291
ARG A 615
 SIA  A1692 (-2.7A)
SIA  A1692 (-2.8A)
SIA  A1692 (-3.1A)
 0.47A 4mx0A-2bf6A:
9.2		 4mx0A-2bf6A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 ARG A 263
ASP A 341
ARG A  60
 None
 0.79A 4mx0A-2gahA:
undetectable		 4mx0A-2gahA:
17.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 None
 0.59A 4mx0A-2htvA:
62.6		 4mx0A-2htvA:
42.75
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ARG A 263
ASP A 191
ARG A 152
 None
 0.99A 4mx0A-2ifyA:
undetectable		 4mx0A-2ifyA:
21.76
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 192
ASP A 321
ARG A 164
 None
 0.82A 4mx0A-2pgwA:
undetectable		 4mx0A-2pgwA:
20.52
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		3 ARG A  78
ASP A  54
ARG A  85
 ZN  A 400 ( 4.3A)
ZN  A 400 (-2.4A)
None
 0.78A 4mx0A-2q7sA:
undetectable		 4mx0A-2q7sA:
22.17
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.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE

(Francisella
tularensis) 		no annotation 3 ARG B  10
ASP B  79
ARG B  54
 None
 0.97A 4mx0A-2qjtB:
undetectable		 4mx0A-2qjtB:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqm NEUROPILIN-1

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 ARG A 334
ASP A 428
ARG A 237
 EDO  A 605 (-4.1A)
EDO  A 607 (-2.7A)
EDO  A 605 ( 3.4A)
 0.87A 4mx0A-2qqmA:
undetectable		 4mx0A-2qqmA:
22.63
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 ARG A 126
ASP A 123
ARG A 381
 None
 0.72A 4mx0A-2qtkA:
undetectable		 4mx0A-2qtkA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		3 ARG A 347
ASP A 372
ARG A 721
 None
 0.53A 4mx0A-2w20A:
3.0		 4mx0A-2w20A:
22.68
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		3 ARG A1358
ASP A1472
ARG A1365
 None
 0.97A 4mx0A-2xkkA:
undetectable		 4mx0A-2xkkA:
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		3 ARG A  59
ASP A  84
ARG A 322
 KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 ( 3.0A)
 0.42A 4mx0A-2xziA:
11.0		 4mx0A-2xziA:
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		3 ARG A 432
ASP A 506
ARG A 428
 None
 0.94A 4mx0A-2yn9A:
undetectable		 4mx0A-2yn9A:
16.20
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.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		3 ARG A 171
ASP A 172
ARG A 153
 CDP  A 209 (-3.0A)
None
CDP  A 209 ( 3.0A)
 0.86A 4mx0A-3akcA:
undetectable		 4mx0A-3akcA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al9 PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		3 ARG A 174
ASP A 179
ARG A 125
 None
 0.84A 4mx0A-3al9A:
4.7		 4mx0A-3al9A:
21.58
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		3 ARG A 180
ASP A  15
ARG A  37
 None
 0.84A 4mx0A-3bg2A:
undetectable		 4mx0A-3bg2A:
20.69
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 ARG A 469
ASP A 433
ARG A 236
 None
 0.83A 4mx0A-3bgaA:
undetectable		 4mx0A-3bgaA:
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.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		3 ARG A 193
ASP A 189
ARG A  78
 SIN  A 505 (-4.6A)
None
SIN  A 505 (-3.7A)
 0.91A 4mx0A-3bifA:
undetectable		 4mx0A-3bifA:
21.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-2.9A)
 0.19A 4mx0A-3ckzA:
64.1		 4mx0A-3ckzA:
47.95
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.
3d7u TYROSINE-PROTEIN
KINASE CSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 ARG A 384
ASP A 409
ARG A 389
 None
 0.84A 4mx0A-3d7uA:
undetectable		 4mx0A-3d7uA:
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 ARG A 445
ASP A 409
ARG A 212
 None
 0.85A 4mx0A-3decA:
undetectable		 4mx0A-3decA:
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.
3ezy DEHYDROGENASE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 ARG A 147
ASP A 226
ARG A 238
 None
 0.95A 4mx0A-3ezyA:
undetectable		 4mx0A-3ezyA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 ARG A 405
ASP A 416
ARG A 436
 None
 0.99A 4mx0A-3g05A:
undetectable		 4mx0A-3g05A:
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		3 ARG A3418
ASP A3398
ARG A3425
 None
 0.87A 4mx0A-3hwcA:
undetectable		 4mx0A-3hwcA:
22.69
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		3 ARG A 411
ASP A 255
ARG A 187
 None
 0.84A 4mx0A-3i3vA:
undetectable		 4mx0A-3i3vA:
19.51
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		3 ARG B 550
ASP B 159
ARG B 187
 C  C  28 ( 3.8A)
None
A  C  30 ( 3.6A)
 1.02A 4mx0A-3jb9B:
undetectable		 4mx0A-3jb9B:
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		3 ARG A 154
ASP A 151
ARG A 410
 None
 0.71A 4mx0A-3jtyA:
undetectable		 4mx0A-3jtyA:
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		3 ARG A 622
ASP A 532
ARG A 429
 None
 0.74A 4mx0A-3k30A:
undetectable		 4mx0A-3k30A:
18.27
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.
3k4w UNCHARACTERIZED
PROTEIN BB4693

(Bordetella
bronchiseptica) 		PF04909
(Amidohydro_2) 		3 ARG A   9
ASP A 212
ARG A  67
 None
 0.81A 4mx0A-3k4wA:
undetectable		 4mx0A-3k4wA:
21.80
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 ARG B 136
ASP B 185
ARG B  96
 SO4  B 246 (-3.9A)
None
SO4  B 246 ( 4.8A)
 0.81A 4mx0A-3l7zB:
undetectable		 4mx0A-3l7zB:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 324
ASP A 253
ARG A 388
 CO8  A 400 (-4.2A)
CO8  A 400 (-3.6A)
CO8  A 400 ( 3.9A)
 1.00A 4mx0A-3mdeA:
undetectable		 4mx0A-3mdeA:
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		3 ARG A 196
ASP A 356
ARG A 467
 None
 0.81A 4mx0A-3ob8A:
undetectable		 4mx0A-3ob8A:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		3 ARG A 467
ASP A 409
ARG A 196
 None
 0.95A 4mx0A-3ob8A:
undetectable		 4mx0A-3ob8A:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN
COMPLEMENT COMPONENT
C8 BETA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF)
PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		3 ARG B 102
ASP A 102
ARG B 103
 None
 0.97A 4mx0A-3ojyB:
undetectable		 4mx0A-3ojyB:
20.68
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		3 ARG A  37
ASP A  62
ARG A 309
 PO4  A 499 (-2.7A)
GOL  A 403 ( 3.4A)
PO4  A 499 (-3.0A)
 0.77A 4mx0A-3silA:
6.7		 4mx0A-3silA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.4A)
LNV  A 901 (-2.9A)
 0.14A 4mx0A-3ti8A:
64.7		 4mx0A-3ti8A:
43.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.4A)
LNV  A 801 (-2.9A)
 0.16A 4mx0A-3tiaA:
64.6		 4mx0A-3tiaA:
42.07
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		3 ARG A 311
ASP A 319
ARG A 148
 None
 0.81A 4mx0A-3tt2A:
undetectable		 4mx0A-3tt2A:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 368
 G39  A1470 (-3.1A)
G39  A1470 (-3.7A)
G39  A1470 (-3.0A)
 0.23A 4mx0A-4b7jA:
64.2		 4mx0A-4b7jA:
40.55
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		3 ARG A 115
ASP A 148
ARG A 373
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.3A)
ZMR  A 700 (-3.0A)
 0.23A 4mx0A-4cpnA:
54.2		 4mx0A-4cpnA:
28.72
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		3 ARG A 200
ASP A 225
ARG A 475
 PO4  A 607 ( 2.6A)
PO4  A 607 ( 3.8A)
PO4  A 607 (-2.8A)
 0.54A 4mx0A-4fj6A:
9.3		 4mx0A-4fj6A:
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.
4g3n DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF03989
(DNA_gyraseA_C) 		3 ARG A 761
ASP A 708
ARG A 757
 None
 0.91A 4mx0A-4g3nA:
undetectable		 4mx0A-4g3nA:
22.72
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.
4gpn 6-PHOSPHO-BETA-D-GLU
COSIDASE

(Streptococcus
mutans) 		PF00232
(Glyco_hydro_1) 		3 ARG A 220
ASP A 151
ARG A 295
 None
 1.00A 4mx0A-4gpnA:
undetectable		 4mx0A-4gpnA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h53 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
SLB  A 512 (-2.9A)
 0.28A 4mx0A-4h53A:
64.6		 4mx0A-4h53A:
49.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 G39  A 509 (-3.0A)
G39  A 509 (-3.6A)
G39  A 509 (-2.9A)
 0.19A 4mx0A-4hzzA:
62.9		 4mx0A-4hzzA:
48.36
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.
4kyz DESIGNED PROTEIN
OR327

(synthetic
construct) 		no annotation 3 ARG A  49
ASP A  18
ARG A  47
 None
 0.91A 4mx0A-4kyzA:
undetectable		 4mx0A-4kyzA:
16.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A 118
ASP A 151
ARG A 371
 27S  A 501 (-3.0A)
27S  A 501 (-3.2A)
27S  A 501 (-3.1A)
 0.74A 4mx0A-4mjuA:
62.4		 4mx0A-4mjuA:
43.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		3 ARG A 378
ASP A 401
ARG A 508
 None
 0.95A 4mx0A-4nj5A:
undetectable		 4mx0A-4nj5A:
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.
4py5 RIBONUCLEASE

(Thermovibrio
ammonificans) 		PF01351
(RNase_HII) 		3 ARG A 202
ASP A 208
ARG A 198
 SO4  A 302 (-2.8A)
None
SO4  A 302 (-2.8A)
 1.01A 4mx0A-4py5A:
undetectable		 4mx0A-4py5A:
20.26
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.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		3 ARG A 269
ASP A 155
ARG A 231
 None
 1.01A 4mx0A-4q2hA:
undetectable		 4mx0A-4q2hA:
19.71
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		3 ARG A 220
ASP A 245
ARG A 495
 EDO  A 604 (-4.0A)
EDO  A 604 ( 4.3A)
None
 0.48A 4mx0A-4q6kA:
7.8		 4mx0A-4q6kA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 ARG A  36
ASP A  69
ARG A 290
 None
 0.31A 4mx0A-4qn3A:
71.0		 4mx0A-4qn3A:
61.79
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		3 ARG A 271
ASP A 227
ARG A 306
 SEP  B1212 ( 4.2A)
None
SEP  B1212 ( 4.0A)
 0.82A 4mx0A-4r10A:
undetectable		 4mx0A-4r10A:
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		3 ARG A 375
ASP A 374
ARG A 307
 GLA  A 503 (-4.0A)
GLA  A 503 (-2.9A)
GLA  A 503 (-2.8A)
 0.94A 4mx0A-4rk9A:
undetectable		 4mx0A-4rk9A:
22.17
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		3 ARG A 293
ASP A 318
ARG A 673
 CNP  A 760 (-3.0A)
CNP  A 760 (-2.6A)
CNP  A 760 (-3.0A)
 0.45A 4mx0A-4sliA:
7.2		 4mx0A-4sliA:
22.14
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.
4w97 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR KSTR2

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		3 ARG A 159
ASP A 153
ARG A 132
 UCA  A 301 (-3.5A)
None
UCA  A 301 (-4.1A)
 0.98A 4mx0A-4w97A:
undetectable		 4mx0A-4w97A:
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		3 ARG A 257
ASP A 282
ARG A 637
 3XR  A 802 (-3.0A)
3XR  A 802 (-2.5A)
3XR  A 802 (-3.0A)
 0.43A 4mx0A-4x6kA:
18.2		 4mx0A-4x6kA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 3 ARG A 140
ASP A 134
ARG A  85
 INS  A 301 (-2.7A)
MG  A 303 ( 4.0A)
ACP  A 302 (-2.9A)
 0.98A 4mx0A-4xf7A:
undetectable		 4mx0A-4xf7A:
21.07
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		3 ARG A 245
ASP A 270
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.9A)
 0.54A 4mx0A-4xhbA:
6.9		 4mx0A-4xhbA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xtk CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Thermotoga
maritima) 		PF01867
(Cas_Cas1) 		3 ARG A 295
ASP A  37
ARG A 280
 None
 0.83A 4mx0A-4xtkA:
undetectable		 4mx0A-4xtkA:
20.90
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		3 ARG A1088
ASP A1746
ARG A1038
 None
 1.01A 4mx0A-4yknA:
undetectable		 4mx0A-4yknA:
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		3 ARG A 290
ASP A 315
ARG A 662
 G39  A 801 (-2.6A)
G39  A 801 (-3.2A)
G39  A 801 (-2.9A)
 0.77A 4mx0A-4yw5A:
4.5		 4mx0A-4yw5A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		3 ARG A 519
ASP A 259
ARG A 498
 None
 0.65A 4mx0A-4z2aA:
undetectable		 4mx0A-4z2aA:
22.38
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.
5d50 REPRESSOR
ANTI-REPRESSOR
PROTEIN

(Salmonella
virus SPN1S;
Salmonella
virus SPN1S) 		PF01381
(HTH_3)
no annotation 		3 ARG A  54
ASP E  47
ARG A   8
 None
 0.97A 4mx0A-5d50A:
undetectable		 4mx0A-5d50A:
19.17
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.
5eix DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A

(Klebsiella
pneumoniae) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		3 ARG A1354
ASP A1468
ARG A1361
 None
 0.79A 4mx0A-5eixA:
undetectable		 4mx0A-5eixA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		3 ARG B 517
ASP B 521
ARG B 397
 None
 0.82A 4mx0A-5hb4B:
undetectable		 4mx0A-5hb4B:
12.11
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		3 ARG A 647
ASP A 438
ARG A 416
 None
 0.98A 4mx0A-5ijlA:
undetectable		 4mx0A-5ijlA:
16.14
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.
5jbh 30S RIBOSOMAL
PROTEIN US7

(Pyrococcus
abyssi) 		PF00177
(Ribosomal_S7) 		3 ARG H 157
ASP H  30
ARG H 133
 None
 0.92A 4mx0A-5jbhH:
undetectable		 4mx0A-5jbhH:
19.23
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ARG A 287
ASP A 217
ARG A 177
 GOL  A 602 (-3.6A)
None
GOL  A 602 (-3.3A)
 0.89A 4mx0A-5kgnA:
undetectable		 4mx0A-5kgnA:
19.96
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		3 ARG A 111
ASP A  82
ARG A 107
 None
 1.01A 4mx0A-5kjmA:
undetectable		 4mx0A-5kjmA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		3 ARG D 527
ASP F 219
ARG D 536
 None
 0.96A 4mx0A-5mg3D:
undetectable		 4mx0A-5mg3D:
20.73
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 3 ARG A 829
ASP A 663
ARG A 812
 None
 0.96A 4mx0A-5n7fA:
undetectable		 4mx0A-5n7fA:
21.98
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 3 ARG A 820
ASP A 821
ARG A 234
 None
 0.90A 4mx0A-5nbsA:
undetectable		 4mx0A-5nbsA:
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.
5nx4 PENTALENENE SYNTHASE

(Streptomyces
clavuligerus) 		no annotation 3 ARG A 126
ASP A 122
ARG A  24
 GOL  A 403 ( 4.0A)
GOL  A 403 (-2.5A)
GOL  A 403 (-4.2A)
 0.96A 4mx0A-5nx4A:
undetectable		 4mx0A-5nx4A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 3 ARG A 147
ASP A 154
ARG A 375
 MN  A 801 ( 4.9A)
MN  A 801 (-2.8A)
9UB  A 803 (-3.1A)
 0.90A 4mx0A-5oglA:
undetectable		 4mx0A-5oglA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 3 ARG A 448
ASP A 881
ARG A 451
 None
 0.86A 4mx0A-5wmmA:
undetectable		 4mx0A-5wmmA:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		3 ARG A 869
ASP A 706
ARG A 861
 SO4  A1705 (-2.9A)
None
SO4  A1705 (-3.0A)
 0.92A 4mx0A-5x7sA:
undetectable		 4mx0A-5x7sA:
15.04
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 3 ARG A  82
ASP A 413
ARG A 171
 None
 0.96A 4mx0A-5xomA:
undetectable		 4mx0A-5xomA:
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 3 ARG A 411
ASP A 378
ARG A 178
 None
 0.99A 4mx0A-6b6lA:
undetectable		 4mx0A-6b6lA:
17.81
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.
6bo6 -

(-) 		no annotation 3 ARG A 410
ASP A 363
ARG A 181
 None
 0.94A 4mx0A-6bo6A:
undetectable		 4mx0A-6bo6A:
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 3 ARG A 361
ASP A 475
ARG A 368
 None
 0.95A 4mx0A-6bq9A:
undetectable		 4mx0A-6bq9A:
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 3 ARG A 118
ASP A 151
ARG A 371
 E3M  A 511 (-3.0A)
E3M  A 511 (-2.9A)
E3M  A 511 (-2.9A)
 0.33A 4mx0A-6br6A:
64.4		 4mx0A-6br6A:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 3 ARG A 250
ASP A 276
ARG A 738
 G39  A 908 (-2.8A)
G39  A 908 (-3.3A)
G39  A 908 (-3.0A)
 0.37A 4mx0A-6eksA:
6.0		 4mx0A-6eksA:
18.98