SIMILAR PATTERNS OF AMINO ACIDS FOR 3K39_M_BCZM1001

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
 1.29A 3k39M-1d6mA:
undetectable		 3k39M-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
 1.11A 3k39M-1eqnA:
undetectable		 3k39M-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 292
TYR N 406
 None
 0.70A 3k39M-1nmbN:
53.4		 3k39M-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 292
TYR N 406
 None
 0.79A 3k39M-1nmbN:
53.4		 3k39M-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 299
TYR A 412
 None
 0.54A 3k39M-1v0zA:
53.4		 3k39M-1v0zA:
32.93
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 ARG A 116
ARG A 150
GLU A 275
GLU A 276
ARG A 292
TYR A 409
 IBA  A   1 (-3.3A)
IBA  A   1 (-3.9A)
IBA  A   1 (-4.1A)
IBA  A   1 (-3.9A)
IBA  A   1 (-3.5A)
None
 1.40A 3k39M-1vcjA:
73.1		 3k39M-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 292
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 (-3.5A)
None
 0.62A 3k39M-1vcjA:
73.1		 3k39M-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 294
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 (-3.4A)
ABW  A1000 (-4.9A)
 0.69A 3k39M-1xogA:
52.8		 3k39M-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 294
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 (-3.4A)
ABW  A1000 (-4.9A)
 0.73A 3k39M-1xogA:
52.8		 3k39M-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.
1y7y C.AHDI

(Aeromonas
hydrophila) 		PF01381
(HTH_3) 		5 ARG A  19
GLU A  47
LEU A  18
GLU A  30
ARG A  40
 None
 1.43A 3k39M-1y7yA:
undetectable		 3k39M-1y7yA:
10.82
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.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 ARG A 128
LEU A 208
GLU A 196
GLU A 197
ARG A 194
 DCZ  A 302 (-4.1A)
None
None
DCZ  A 302 (-3.5A)
DCZ  A 302 ( 4.8A)
 1.36A 3k39M-2a30A:
undetectable		 3k39M-2a30A:
20.00
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.
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 3k39M-2d5wA:
undetectable		 3k39M-2d5wA:
18.69
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 292
TYR A 406
 None
 0.84A 3k39M-2htvA:
51.3		 3k39M-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 GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 1.14A 3k39M-2htvA:
51.3		 3k39M-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
TYR A 406
 None
 0.98A 3k39M-2htvA:
51.3		 3k39M-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 3k39M-2ivfA:
undetectable		 3k39M-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.
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
 0.96A 3k39M-2r4fA:
undetectable		 3k39M-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.
2ywb GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Thermus
thermophilus) 		PF00117
(GATase)
PF00958
(GMP_synt_C) 		5 ARG A 304
LEU A 342
ARG A 293
GLU A 294
ARG A 273
 None
 1.43A 3k39M-2ywbA:
undetectable		 3k39M-2ywbA:
21.88
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 292
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 (-3.0A)
ZMR  A 469 (-4.7A)
 0.66A 3k39M-3ckzA:
53.0		 3k39M-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 292
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 (-3.0A)
ZMR  A 469 (-4.7A)
 0.72A 3k39M-3ckzA:
53.0		 3k39M-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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 GLU A 555
ARG A 623
GLU A 535
ARG A 604
TYR A 557
 None
 1.47A 3k39M-3kt4A:
undetectable		 3k39M-3kt4A:
19.65
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.
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
 1.40A 3k39M-3n0rA:
undetectable		 3k39M-3n0rA:
22.17
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 292
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 (-2.8A)
LNV  A 901 (-4.8A)
 0.54A 3k39M-3ti8A:
53.4		 3k39M-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 292
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 (-3.0A)
LNV  A 801 (-4.4A)
 0.58A 3k39M-3tiaA:
54.7		 3k39M-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
 1.43A 3k39M-3vcnA:
undetectable		 3k39M-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 293
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 (-2.9A)
G39  A1470 (-4.5A)
 0.61A 3k39M-4b7jA:
52.6		 3k39M-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 293
TYR A 402
 G39  A1470 (-4.0A)
None
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 1.35A 3k39M-4b7jA:
52.6		 3k39M-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
 1.29A 3k39M-4bxsV:
undetectable		 3k39M-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) 		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 291
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 (-2.8A)
ZMR  A 700 (-4.6A)
 0.52A 3k39M-4cpnA:
73.9		 3k39M-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
 1.46A 3k39M-4fi4A:
undetectable		 3k39M-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 292
 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 (-3.1A)
 0.61A 3k39M-4h53A:
54.5		 3k39M-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
 1.31A 3k39M-4hxtA:
undetectable		 3k39M-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 292
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 (-2.8A)
G39  A 509 (-4.6A)
 0.57A 3k39M-4hzzA:
51.9		 3k39M-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.
4mel UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 11

(Homo sapiens) 		PF06337
(DUSP)
PF14836
(Ubiquitin_3) 		5 GLU A  71
GLU A  50
GLU A  43
ARG A  49
TYR A  67
 None
 1.47A 3k39M-4melA:
undetectable		 3k39M-4melA:
20.60
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 292
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)
 0.67A 3k39M-4mjuA:
51.5		 3k39M-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 292
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 3k39M-4mjuA:
51.5		 3k39M-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 292
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 3k39M-4mjuA:
51.5		 3k39M-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.
4nhu H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, L-D ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I) 		5 ARG E  97
GLU E 114
LEU E 126
ALA E 167
GLU E 163
 None
 1.48A 3k39M-4nhuE:
undetectable		 3k39M-4nhuE:
18.36
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  12
ARG A  78
GLU A  74
ARG A 296
TYR A 300
 None
 1.42A 3k39M-4o5mA:
undetectable		 3k39M-4o5mA:
22.52
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 211
TYR A 324
 None
 0.58A 3k39M-4qn3A:
53.2		 3k39M-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
 1.32A 3k39M-4rv1A:
undetectable		 3k39M-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
 1.31A 3k39M-4rv1A:
undetectable		 3k39M-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
 1.40A 3k39M-4rv1A:
undetectable		 3k39M-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
 1.43A 3k39M-4rv1A:
undetectable		 3k39M-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 3k39M-4rv1A:
undetectable		 3k39M-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
 1.33A 3k39M-4rv1A:
undetectable		 3k39M-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
 1.43A 3k39M-4xymB:
undetectable		 3k39M-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.
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
 1.47A 3k39M-5b04I:
undetectable		 3k39M-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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLU A1447
ARG A1306
ALA A1312
GLU A1311
GLU A1449
 None
 1.50A 3k39M-5i8iA:
undetectable		 3k39M-5i8iA:
12.55
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.
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
 0.82A 3k39M-5iy3A:
undetectable		 3k39M-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.
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
 1.39A 3k39M-5jxrA:
undetectable		 3k39M-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
 1.35A 3k39M-5kbrA:
undetectable		 3k39M-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.
5uou 2-OXO-4-HYDROXY-4-CA
RBOXY-5-UREIDOIMIDAZ
OLINE (OHCU)
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF09349
(OHCU_decarbox) 		5 ALA A 150
GLU A 147
GLU A 144
ARG A 136
TYR A 109
 None
 1.42A 3k39M-5uouA:
undetectable		 3k39M-5uouA:
17.63
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.
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 292
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)
 0.60A 3k39M-6br6A:
53.9		 3k39M-6br6A:
undetectable