SIMILAR PATTERNS OF AMINO ACIDS FOR 4MX0_A_BCZA513_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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