SIMILAR PATTERNS OF AMINO ACIDS FOR 3K39_D_BCZD1001_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) 		10 GLU N 119
LEU N 134
ARG N 152
ARG N 156
ARG N 224
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ARG N 371
 None
 0.74A 3k39D-1nmbN:
53.3		 3k39D-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) 		10 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 292
ARG N 371
 None
 0.81A 3k39D-1nmbN:
53.3		 3k39D-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) 		10 GLU N 119
LEU N 134
ASP N 151
ARG N 152
ARG N 156
ARG N 224
GLU N 227
GLU N 277
ARG N 292
ARG N 371
 None
 0.92A 3k39D-1nmbN:
53.3		 3k39D-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) 		10 GLU N 119
LEU N 134
ASP N 151
ARG N 152
ARG N 156
ARG N 224
GLU N 276
GLU N 277
ARG N 292
ARG N 371
 None
 0.86A 3k39D-1nmbN:
53.3		 3k39D-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) 		5 ARG A 231
ALA A 253
GLU A 283
GLU A 284
ARG A 124
 None
 1.47A 3k39D-1v0zA:
53.4		 3k39D-1v0zA:
32.93
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
ASP A 157
ARG A 158
ARG A 162
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ARG A 378
 None
 0.58A 3k39D-1v0zA:
53.4		 3k39D-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
 1.13A 3k39D-1v19A:
undetectable		 3k39D-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) 		6 ASP A 149
ARG A 150
GLU A 275
GLU A 276
ARG A 292
ARG A 374
 IBA  A   1 (-3.6A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
IBA  A   1 (-3.2A)
 1.42A 3k39D-1vcjA:
73.2		 3k39D-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 GLU A 117
LEU A 132
ASP A 149
ARG A 150
ARG A 154
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ARG A 374
 IBA  A   1 (-3.9A)
None
IBA  A   1 (-3.6A)
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 (-3.5A)
IBA  A   1 (-3.2A)
 0.71A 3k39D-1vcjA:
73.2		 3k39D-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 GLU A 120
LEU A 135
ASP A 152
ARG A 153
ARG A 157
ARG A 226
ALA A 248
GLU A 278
GLU A 279
ARG A 294
ARG A 372
 ABW  A1000 (-3.7A)
None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
 0.70A 3k39D-1xogA:
52.8		 3k39D-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 GLU A 120
LEU A 135
ASP A 152
ARG A 153
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ARG A 372
 ABW  A1000 (-3.7A)
None
ABW  A1000 (-3.7A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.2A)
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-2.8A)
 0.74A 3k39D-1xogA:
52.8		 3k39D-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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ASP A 182
ARG A 442
ARG A 231
GLU A 435
GLU A 412
 None
 1.13A 3k39D-2csdA:
undetectable		 3k39D-2csdA:
21.23
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
ARG A 292
 None
 1.19A 3k39D-2htvA:
51.3		 3k39D-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) 		9 LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 None
 0.81A 3k39D-2htvA:
51.3		 3k39D-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 292
ARG A 371
 None
 1.02A 3k39D-2htvA:
51.3		 3k39D-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
ASP A 151
ARG A 152
GLU A 119
GLU A 277
ARG A 371
 None
 1.21A 3k39D-2htvA:
51.3		 3k39D-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) 		7 LEU A 134
ASP A 151
ARG A 152
GLU A 227
GLU A 276
GLU A 277
ARG A 371
 None
 1.05A 3k39D-2htvA:
51.3		 3k39D-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
 0.94A 3k39D-2ivfA:
undetectable		 3k39D-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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		5 ARG A  49
GLU A 157
ALA A  52
GLU A  47
ARG A 199
 None
 1.47A 3k39D-2j7aA:
0.0		 3k39D-2j7aA:
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLU A 128
ARG A 358
ALA A 346
GLU A 129
ARG A 136
 None
 1.49A 3k39D-2jisA:
undetectable		 3k39D-2jisA:
22.52
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.
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 3k39D-2qveA:
undetectable		 3k39D-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
 0.95A 3k39D-2r4fA:
undetectable		 3k39D-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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 GLU A  56
LEU A 152
ASP A 154
ALA A 144
GLU A 161
 CA  A1521 (-2.1A)
None
CA  A1521 (-3.0A)
None
None
 1.38A 3k39D-2yjqA:
undetectable		 3k39D-2yjqA:
20.86
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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
GLU A 277
ARG A 292
ARG A 371
 ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.5A)
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 (-3.0A)
ZMR  A 469 (-2.9A)
 0.68A 3k39D-3ckzA:
53.0		 3k39D-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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 ZMR  A 469 (-3.5A)
None
ZMR  A 469 (-3.5A)
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 (-3.0A)
ZMR  A 469 (-2.9A)
 0.73A 3k39D-3ckzA:
53.0		 3k39D-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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 GLU A  64
LEU A 181
ALA A 238
ARG A 235
ARG A 100
 None
None
None
SO4  A   4 (-4.5A)
SO4  A   3 (-4.5A)
 1.40A 3k39D-3kn1A:
undetectable		 3k39D-3kn1A:
19.33
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 754
ASP A 713
ARG A 710
ALA A 728
GLU A 732
 None
 1.43A 3k39D-3sdqA:
undetectable		 3k39D-3sdqA:
18.93
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
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 LNV  A 901 (-3.6A)
None
LNV  A 901 (-3.4A)
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 (-2.8A)
LNV  A 901 (-2.9A)
 0.55A 3k39D-3ti8A:
53.3		 3k39D-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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 LNV  A 801 (-3.5A)
None
LNV  A 801 (-3.4A)
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 (-3.0A)
LNV  A 801 (-2.9A)
 0.60A 3k39D-3tiaA:
54.5		 3k39D-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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2910
ASP A2996
ARG A2911
ALA A3180
GLU A3179
 None
 1.24A 3k39D-3vkgA:
undetectable		 3k39D-3vkgA:
8.52
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 ASP A 283
ARG A 279
ALA A 315
GLU A 228
ARG A 314
 None
 1.28A 3k39D-4a7kA:
7.3		 3k39D-4a7kA:
17.09
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 293
ARG A 368
 G39  A1470 (-4.0A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
 1.30A 3k39D-4b7jA:
52.5		 3k39D-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) 		11 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 225
GLU A 228
GLU A 277
GLU A 278
ARG A 293
ARG A 368
 G39  A1470 (-3.5A)
None
G39  A1470 (-3.7A)
G39  A1470 (-3.9A)
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-3.0A)
 0.61A 3k39D-4b7jA:
52.5		 3k39D-4b7jA:
33.33
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		5 GLU V 978
LEU V 960
ARG V 860
GLU V1034
ARG V 977
 None
 1.27A 3k39D-4bxsV:
undetectable		 3k39D-4bxsV:
14.54
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) 		5 ARG A 222
ALA A 244
GLU A 274
GLU A 275
ARG A 115
 ZMR  A 700 (-3.8A)
ZMR  A 700 (-3.6A)
ZMR  A 700 (-2.7A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-2.9A)
 1.23A 3k39D-4cpnA:
73.9		 3k39D-4cpnA:
96.98
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 GLU A 116
LEU A 131
ASP A 148
ARG A 149
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ARG A 373
 ZMR  A 700 (-3.5A)
None
ZMR  A 700 (-3.3A)
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 (-2.8A)
ZMR  A 700 (-3.0A)
 0.54A 3k39D-4cpnA:
73.9		 3k39D-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.
4frt PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ASP A 157
ARG A 156
ARG A  64
ALA A 282
GLU A 162
 None
 1.49A 3k39D-4frtA:
undetectable		 3k39D-4frtA:
22.47
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) 		12 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 SLB  A 512 (-3.5A)
None
SLB  A 512 (-3.5A)
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 (-3.1A)
SLB  A 512 (-2.9A)
 0.62A 3k39D-4h53A:
54.6		 3k39D-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
 1.32A 3k39D-4hxtA:
undetectable		 3k39D-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 GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 G39  A 509 (-3.3A)
None
G39  A 509 (-3.6A)
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 (-2.8A)
G39  A 509 (-2.9A)
 0.60A 3k39D-4hzzA:
51.9		 3k39D-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 3k39D-4mj3A:
undetectable		 3k39D-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) 		9 GLU A 119
LEU A 134
ARG A 152
ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 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 (-3.1A)
 1.03A 3k39D-4mjuA:
51.6		 3k39D-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) 		10 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 292
ARG A 371
 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 (-3.1A)
 0.69A 3k39D-4mjuA:
51.6		 3k39D-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) 		8 LEU A 134
ARG A 152
ARG A 156
GLU A 119
ALA A 246
GLU A 277
ARG A 292
ARG A 371
 None
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
27S  A 501 ( 3.8A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
27S  A 501 (-3.1A)
 0.99A 3k39D-4mjuA:
51.6		 3k39D-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
ASP A 151
ARG A 152
ARG A 156
GLU A 119
GLU A 277
ARG A 371
 None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 (-3.4A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
 1.22A 3k39D-4mjuA:
51.6		 3k39D-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
ASP A 151
ARG A 152
ARG A 156
GLU A 227
GLU A 277
ARG A 371
 None
27S  A 501 (-3.2A)
27S  A 501 (-4.2A)
None
27S  A 501 (-3.3A)
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
 1.00A 3k39D-4mjuA:
51.6		 3k39D-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 LEU A 134
ASP A 151
ARG A 156
GLU A 119
ARG A 371
 None
27S  A 501 (-3.2A)
None
27S  A 501 (-3.4A)
27S  A 501 (-3.1A)
 1.47A 3k39D-4mjuA:
51.6		 3k39D-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.
4p2k EPHRIN TYPE-A
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM) 		5 ASP A 799
ARG A 861
ALA A 785
GLU A 787
ARG A 762
 None
 1.38A 3k39D-4p2kA:
undetectable		 3k39D-4p2kA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.15A 3k39D-4pc9A:
undetectable		 3k39D-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 GLU A  37
LEU A  52
ASP A  69
ARG A  70
ARG A  74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ARG A 290
 None
 0.64A 3k39D-4qn3A:
53.2		 3k39D-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 150
ARG A 108
GLU A 143
ALA A  69
GLU A 105
 None
 1.33A 3k39D-4rv1A:
undetectable		 3k39D-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 192
ARG A 150
GLU A 185
ALA A 111
GLU A 147
 None
 1.32A 3k39D-4rv1A:
undetectable		 3k39D-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 234
ARG A 192
GLU A 227
ALA A 153
GLU A 189
 None
 1.41A 3k39D-4rv1A:
undetectable		 3k39D-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
 1.44A 3k39D-4rv1A:
undetectable		 3k39D-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
 1.34A 3k39D-4rv1A:
undetectable		 3k39D-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.
4xym BETA SUBUNIT OF
ACYL-COA SYNTHETASE
(NDP FORMING)

(Candidatus
Korarchaeum
cryptofilum) 		PF13549
(ATP-grasp_5) 		5 ARG B  51
GLU B  44
ALA B  88
GLU B  43
ARG B  90
 None
 1.41A 3k39D-4xymB:
undetectable		 3k39D-4xymB:
20.46
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 LEU A 128
ASP A 198
ARG A 156
GLU A 340
GLU A 341
 None
 1.40A 3k39D-5hlbA:
undetectable		 3k39D-5hlbA:
19.89
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.
5hu3 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II ALPHA
CHAIN

(Drosophila
melanogaster) 		PF00069
(Pkinase) 		5 LEU A 143
ASP A 157
GLU A  97
ALA A  24
GLU A 140
 ADP  A 301 (-4.7A)
MG  A 302 ( 3.3A)
ADP  A 301 (-3.5A)
TPO  B 787 (-3.1A)
None
 1.49A 3k39D-5hu3A:
undetectable		 3k39D-5hu3A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 GLU A 157
LEU A 161
GLU A 132
ARG A 136
ARG A 149
 None
 1.50A 3k39D-5jxrA:
undetectable		 3k39D-5jxrA:
18.97
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 GLU A 157
LEU A 161
GLU A 132
GLU A 156
ARG A 136
 None
 1.40A 3k39D-5jxrA:
undetectable		 3k39D-5jxrA:
18.97
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.
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
 1.33A 3k39D-5kbrA:
undetectable		 3k39D-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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 LEU A 620
ASP A 570
ARG A 576
GLU A 638
ARG A 635
 None
 1.46A 3k39D-5wugA:
undetectable		 3k39D-5wugA:
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
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
 E3M  A 511 (-3.6A)
None
E3M  A 511 (-2.9A)
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 (-2.9A)
 0.65A 3k39D-6br6A:
53.9		 3k39D-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.
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 3k39D-6es9A:
undetectable		 3k39D-6es9A:
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.
6h20 -

(-) 		no annotation 5 LEU A 180
ASP A 250
ALA A 208
ARG A 147
ARG A 169
 None
ASN  A 401 (-2.9A)
None
ASN  A 401 (-3.0A)
ASN  A 401 (-2.9A)
 1.40A 3k39D-6h20A:
undetectable		 3k39D-6h20A:
undetectable