SIMILAR PATTERNS OF AMINO ACIDS FOR 3K39_O_BCZO1001_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 LEU A 133
ARG A 131
ARG A 106
GLU A 525
TYR A 328
 None
 1.28A 3k39O-1d6mA:
undetectable		 3k39O-1d6mA:
21.14
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.
1eqn DNA PRIMASE

(Escherichia
coli) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13155
(Toprim_2) 		5 ARG A 260
GLU A 363
ARG A 336
ARG A 361
GLU A 353
 None
 1.09A 3k39O-1eqnA:
undetectable		 3k39O-1eqnA:
21.00
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) 		10 ARG N 118
GLU N 119
LEU N 134
ARG N 152
ARG N 156
ALA N 246
GLU N 276
GLU N 277
ARG N 371
TYR N 406
 None
 0.66A 3k39O-1nmbN:
53.4		 3k39O-1nmbN:
30.64
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) 		11 ARG N 118
GLU N 119
LEU N 134
ARG N 152
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 371
TYR N 406
 None
 0.77A 3k39O-1nmbN:
53.4		 3k39O-1nmbN:
30.64
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) 		12 ARG A 124
GLU A 125
LEU A 140
ARG A 158
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 378
TYR A 412
 None
 0.56A 3k39O-1v0zA:
53.5		 3k39O-1v0zA:
32.93
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 GLU A 215
LEU A 189
ARG A 159
GLU A 269
ARG A 232
 None
 1.12A 3k39O-1v19A:
undetectable		 3k39O-1v19A:
21.55
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 116
ARG A 150
GLU A 275
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.2A)
None
 1.23A 3k39O-1vcjA:
73.1		 3k39O-1vcjA:
93.57
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 ARG A 116
GLU A 117
LEU A 132
ARG A 150
ARG A 154
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 374
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 ( 4.5A)
IBA  A   1 (-3.9A)
IBA  A   1 ( 3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.2A)
None
 0.61A 3k39O-1vcjA:
73.1		 3k39O-1vcjA:
93.57
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
GLU A 117
GLU A 275
ARG A 374
TYR A 409
 IBA  A   1 (-3.9A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.2A)
None
 1.48A 3k39O-1vcjA:
73.1		 3k39O-1vcjA:
93.57
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) 		11 ARG A 119
GLU A 120
LEU A 135
ARG A 153
ARG A 157
ARG A 226
ALA A 248
GLU A 278
GLU A 279
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.69A 3k39O-1xogA:
52.8		 3k39O-1xogA:
31.80
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) 		11 ARG A 119
GLU A 120
LEU A 135
ARG A 153
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 372
TYR A 406
 ABW  A1000 (-3.2A)
ABW  A1000 (-3.7A)
None
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-2.8A)
ABW  A1000 (-4.9A)
 0.74A 3k39O-1xogA:
52.8		 3k39O-1xogA:
31.80
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		5 ARG A 550
GLU A 304
LEU A 547
GLU A 465
GLU A 419
 None
 1.26A 3k39O-2d5wA:
undetectable		 3k39O-2d5wA:
18.69
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		5 ARG A 304
GLU A 355
GLU A  39
ARG A 237
TYR A 334
 None
 1.49A 3k39O-2f28A:
25.1		 3k39O-2f28A:
21.04
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLU A  16
LEU A 309
ARG A 237
ARG A  23
TYR A  20
 None
 1.48A 3k39O-2g17A:
undetectable		 3k39O-2g17A:
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.
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
 1.23A 3k39O-2gf5A:
undetectable		 3k39O-2gf5A:
18.67
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 ARG A 118
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 None
 0.84A 3k39O-2htvA:
51.3		 3k39O-2htvA:
35.90
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) 		8 GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 276
GLU A 277
TYR A 406
 None
 1.20A 3k39O-2htvA:
51.3		 3k39O-2htvA:
35.90
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) 		6 LEU A 134
ARG A 152
GLU A 119
GLU A 277
ARG A 371
TYR A 406
 None
 1.01A 3k39O-2htvA:
51.3		 3k39O-2htvA:
35.90
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39O-2ivfA:
undetectable		 3k39O-2ivfA:
17.73
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 GLU A 281
LEU A 256
ARG A 283
ARG A 284
ARG A 311
 None
 1.50A 3k39O-2oodA:
undetectable		 3k39O-2oodA:
22.75
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 147
GLU A 339
ARG A 283
ALA A 171
GLU A 169
 None
 1.47A 3k39O-2qjjA:
undetectable		 3k39O-2qjjA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLU A  30
LEU A 216
ARG A  27
GLU A  31
ARG A 528
 None
 1.23A 3k39O-2qveA:
undetectable		 3k39O-2qveA:
21.75
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		5 GLU A 482
ARG A 495
ARG A 490
ALA A 459
GLU A 486
 None
 0.98A 3k39O-2r4fA:
undetectable		 3k39O-2r4fA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a7s UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 ARG A  73
LEU A  74
ARG A 182
ALA A  65
GLU A 177
 None
 1.45A 3k39O-3a7sA:
undetectable		 3k39O-3a7sA:
18.97
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) 		10 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 277
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.66A 3k39O-3ckzA:
53.0		 3k39O-3ckzA:
34.96
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) 		10 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 ZMR  A 469 (-2.9A)
ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.9A)
ZMR  A 469 (-3.4A)
ZMR  A 469 (-4.4A)
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-2.9A)
ZMR  A 469 (-4.7A)
 0.73A 3k39O-3ckzA:
53.0		 3k39O-3ckzA:
34.96
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.
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
 1.41A 3k39O-3n0rA:
undetectable		 3k39O-3n0rA:
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 UNX  A 408 ( 4.2A)
UNX  A 408 ( 2.8A)
UNX  A 407 ( 4.0A)
None
None
 1.43A 3k39O-3thuA:
undetectable		 3k39O-3thuA:
21.83
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 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 LNV  A 901 (-3.0A)
LNV  A 901 (-3.6A)
None
LNV  A 901 (-4.0A)
LNV  A 901 (-4.0A)
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 (-2.9A)
LNV  A 901 (-4.8A)
 0.55A 3k39O-3ti8A:
53.4		 3k39O-3ti8A:
35.35
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 LNV  A 801 (-2.8A)
LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.9A)
LNV  A 801 (-4.0A)
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 (-2.9A)
LNV  A 801 (-4.4A)
 0.60A 3k39O-3tiaA:
54.8		 3k39O-3tiaA:
29.76
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 CO3  A 503 (-3.9A)
CO3  A 503 (-2.6A)
CO3  A 503 (-4.0A)
None
None
 1.41A 3k39O-3vcnA:
undetectable		 3k39O-3vcnA:
20.35
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 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ARG A 368
TYR A 402
 G39  A1470 (-3.1A)
G39  A1470 (-3.5A)
None
G39  A1470 (-3.9A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 0.61A 3k39O-4b7jA:
52.5		 3k39O-4b7jA:
33.33
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) 		5 ARG A 223
GLU A 228
GLU A 278
ARG A 368
TYR A 402
 G39  A1470 (-4.0A)
None
G39  A1470 (-4.2A)
G39  A1470 (-3.0A)
G39  A1470 (-4.5A)
 1.17A 3k39O-4b7jA:
52.5		 3k39O-4b7jA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		12 ARG A 115
GLU A 116
LEU A 131
ARG A 149
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 373
TYR A 408
 ZMR  A 700 (-2.9A)
ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-4.0A)
ZMR  A 700 (-4.2A)
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 (-3.0A)
ZMR  A 700 (-4.6A)
 0.55A 3k39O-4cpnA:
73.9		 3k39O-4cpnA:
96.98
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.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 148
GLU A 340
ARG A 284
ALA A 172
GLU A 170
 None
None
MG  A 501 ( 4.8A)
None
None
 1.44A 3k39O-4fi4A:
undetectable		 3k39O-4fi4A:
21.13
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 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
 SLB  A 512 (-2.7A)
SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.8A)
None
SLB  A 512 (-4.2A)
None
SLB  A 512 (-3.3A)
SLB  A 512 (-2.8A)
SLB  A 512 (-2.7A)
SLB  A 512 (-2.9A)
 0.63A 3k39O-4h53A:
54.6		 3k39O-4h53A:
31.78
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.
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
 1.33A 3k39O-4hxtA:
undetectable		 3k39O-4hxtA:
19.85
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 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 G39  A 509 (-3.0A)
G39  A 509 (-3.3A)
None
G39  A 509 (-3.9A)
None
G39  A 509 (-4.7A)
None
G39  A 509 ( 4.1A)
G39  A 509 ( 4.1A)
G39  A 509 ( 4.0A)
G39  A 509 (-2.9A)
G39  A 509 (-4.6A)
 0.56A 3k39O-4hzzA:
51.9		 3k39O-4hzzA:
34.06
Potential target for repurposing, i.e. matched protein structure has less than 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 260
ARG A 131
ALA A 227
GLU A 135
ARG A 237
 None
 1.33A 3k39O-4mj3A:
undetectable		 3k39O-4mj3A:
18.31
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 ARG A 118
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 27S  A 501 (-3.0A)
None
27S  A 501 (-4.2A)
None
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 (-3.1A)
27S  A 501 (-4.6A)
 0.66A 3k39O-4mjuA:
51.7		 3k39O-4mjuA:
34.84
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) 		5 ARG A 118
LEU A 134
ARG A 152
GLU A 227
ARG A 371
 27S  A 501 (-3.0A)
None
27S  A 501 (-4.2A)
27S  A 501 (-3.3A)
27S  A 501 (-3.1A)
 1.47A 3k39O-4mjuA:
51.7		 3k39O-4mjuA:
34.84
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
ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 27S  A 501 (-3.4A)
None
27S  A 501 (-4.2A)
27S  A 501 (-4.3A)
27S  A 501 ( 3.8A)
27S  A 501 ( 3.7A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.02A 3k39O-4mjuA:
51.7		 3k39O-4mjuA:
34.84
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) 		7 LEU A 134
ARG A 152
ARG A 156
GLU A 119
ALA A 246
ARG A 371
TYR A 406
 None
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.1A)
27S  A 501 (-4.6A)
 1.01A 3k39O-4mjuA:
51.7		 3k39O-4mjuA:
34.84
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.
4pc9 C4-DICARBOXYLATE
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN, PUTATIVE

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 ARG A 151
GLU A  94
LEU A 106
GLU A  75
ARG A 171
 CS2  A 401 (-3.0A)
CS2  A 401 (-2.5A)
None
CS2  A 401 (-2.8A)
CS2  A 401 (-2.9A)
 1.31A 3k39O-4pc9A:
undetectable		 3k39O-4pc9A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pc9 C4-DICARBOXYLATE
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN, PUTATIVE

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLU A  94
LEU A 106
ALA A  37
GLU A  75
ARG A 171
 CS2  A 401 (-2.5A)
None
None
CS2  A 401 (-2.8A)
CS2  A 401 (-2.9A)
 1.12A 3k39O-4pc9A:
undetectable		 3k39O-4pc9A:
19.90
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 ARG A  36
GLU A  37
LEU A  52
ARG A  70
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 290
TYR A 324
 None
 0.59A 3k39O-4qn3A:
53.3		 3k39O-4qn3A:
32.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 3k39O-4rv1A:
undetectable		 3k39O-4rv1A:
21.97
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.
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
 1.45A 3k39O-4rv1A:
undetectable		 3k39O-4rv1A:
21.97
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 276
ARG A 234
GLU A 269
ALA A 235
GLU A 231
 None
 1.40A 3k39O-4rv1A:
undetectable		 3k39O-4rv1A:
21.97
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.
4rv1 ENGINEERED PROTEIN
OR497

(synthetic
construct) 		PF00514
(Arm) 		5 ARG A 402
ARG A 360
GLU A 395
ALA A 321
GLU A 357
 None
 1.35A 3k39O-4rv1A:
undetectable		 3k39O-4rv1A:
21.97
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		5 ARG A 436
GLU A 485
LEU A 435
GLU A 106
TYR A 108
 None
 1.29A 3k39O-4s3pA:
undetectable		 3k39O-4s3pA:
18.52
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.
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 3k39O-5b04I:
undetectable		 3k39O-5b04I:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy3 GENOME POLYPROTEIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 ARG A 211
LEU A 212
ARG A 214
ARG A 276
GLU A 278
 None
 0.80A 3k39O-5iy3A:
undetectable		 3k39O-5iy3A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 434
ARG A 509
ARG A 388
ALA A 412
GLU A 423
 None
 1.35A 3k39O-5kbrA:
undetectable		 3k39O-5kbrA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ARG A 422
GLU A 415
LEU A 425
ARG A 450
ALA A  41
 None
 1.30A 3k39O-5oasA:
undetectable		 3k39O-5oasA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406
 E3M  A 511 (-3.0A)
E3M  A 511 (-3.6A)
None
E3M  A 511 (-3.8A)
None
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 (-2.9A)
E3M  A 511 (-4.5A)
 0.62A 3k39O-6br6A:
53.9		 3k39O-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 5 ARG A 738
GLU A 782
GLU A 269
ARG A 661
TYR A 766
 G39  A 908 (-3.0A)
None
G39  A 908 ( 4.7A)
G39  A 908 (-2.8A)
G39  A 908 (-4.6A)
 1.40A 3k39O-6eksA:
13.8		 3k39O-6eksA:
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.
6es9 ACYL-COA
DEHYDROGENASE

(Paracoccus
denitrificans) 		no annotation 5 ARG A  73
GLU A 477
GLU A  70
GLU A 487
ARG A 548
 None
 1.43A 3k39O-6es9A:
undetectable		 3k39O-6es9A:
undetectable