SIMILAR PATTERNS OF AMINO ACIDS FOR 3K37_A_BCZA468_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
 1.31A 3k37A-1d6mA:
undetectable		 3k37A-1d6mA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 3k37A-1eqnA:
undetectable		 3k37A-1eqnA:
22.01
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 156
TRP N 178
ALA N 246
GLU N 276
GLU N 277
ARG N 292
TYR N 406
 None
 0.65A 3k37A-1nmbN:
53.5		 3k37A-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 156
TRP N 178
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
TYR N 406
 None
 0.63A 3k37A-1nmbN:
53.5		 3k37A-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 162
TRP A 185
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
TYR A 412
 None
 0.36A 3k37A-1v0zA:
53.9		 3k37A-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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 GLU A 113
LEU A 350
ARG A 371
ARG A 379
ALA A 108
 None
 1.29A 3k37A-1v4aA:
undetectable		 3k37A-1v4aA:
22.69
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 154
TRP A 177
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 (-4.1A)
None
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
 0.45A 3k37A-1vcjA:
74.0		 3k37A-1vcjA:
93.83
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
TRP A 177
GLU A 275
ARG A 292
TYR A 409
 IBA  A   1 (-3.3A)
None
IBA  A   1 (-4.1A)
IBA  A   1 (-3.5A)
None
 1.39A 3k37A-1vcjA:
74.0		 3k37A-1vcjA:
93.83
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 ARG A 119
GLU A 120
LEU A 135
ARG A 157
TRP A 180
ARG A 226
GLU A 229
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 (-4.2A)
None
None
ABW  A1000 ( 4.0A)
ABW  A1000 ( 3.8A)
ABW  A1000 (-4.1A)
ABW  A1000 (-4.5A)
ABW  A1000 (-3.4A)
ABW  A1000 (-4.9A)
 0.67A 3k37A-1xogA:
53.4		 3k37A-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.
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 3k37A-2a30A:
undetectable		 3k37A-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.
2azw MUTT/NUDIX FAMILY
PROTEIN

(Enterococcus
faecalis) 		PF00293
(NUDIX) 		5 ARG A  18
GLU A  49
ARG A  90
GLU A  66
ARG A  62
 None
 1.34A 3k37A-2azwA:
undetectable		 3k37A-2azwA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2azw MUTT/NUDIX FAMILY
PROTEIN

(Enterococcus
faecalis) 		PF00293
(NUDIX) 		5 GLU A  49
ARG A  90
GLU A  66
GLU A  63
ARG A  62
 None
 1.50A 3k37A-2azwA:
undetectable		 3k37A-2azwA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 3k37A-2d5wA:
undetectable		 3k37A-2d5wA:
18.52
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 156
TRP A 178
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 0.64A 3k37A-2htvA:
51.9		 3k37A-2htvA:
36.14
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
TRP A 178
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 None
 1.14A 3k37A-2htvA:
51.9		 3k37A-2htvA:
36.14
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.
2lz1 NUCLEAR FACTOR
ERYTHROID 2-RELATED
FACTOR 2

(Homo sapiens) 		PF03131
(bZIP_Maf) 		5 ARG A  16
GLU A  18
LEU A  17
ARG A  84
ALA A  28
 None
 1.10A 3k37A-2lz1A:
undetectable		 3k37A-2lz1A:
16.49
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.
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
 0.82A 3k37A-2r4fA:
undetectable		 3k37A-2r4fA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.45A 3k37A-2ywbA:
undetectable		 3k37A-2ywbA:
22.26
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) 		9 ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
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 (-3.4A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-4.7A)
 0.50A 3k37A-3ckzA:
53.8		 3k37A-3ckzA:
35.21
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) 		9 ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
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 (-3.4A)
None
ZMR  A 469 (-2.8A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.0A)
ZMR  A 469 (-4.7A)
 0.71A 3k37A-3ckzA:
53.8		 3k37A-3ckzA:
35.21
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) 		9 ARG A 118
GLU A 119
LEU A 134
TRP A 178
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
None
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)
 0.36A 3k37A-3ckzA:
53.8		 3k37A-3ckzA:
35.21
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) 		9 ARG A 118
GLU A 119
LEU A 134
TRP A 178
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
None
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)
 0.65A 3k37A-3ckzA:
53.8		 3k37A-3ckzA:
35.21
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ARG A 358
GLU A 441
LEU A 362
ALA A 406
GLU A 442
 None
 1.36A 3k37A-3oksA:
undetectable		 3k37A-3oksA:
21.58
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 156
TRP A 178
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)
None
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)
 0.43A 3k37A-3ti8A:
53.9		 3k37A-3ti8A:
35.59
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.
3tia NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		12 ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
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 (-4.0A)
None
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)
 0.46A 3k37A-3tiaA:
55.2		 3k37A-3tiaA:
29.98
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 156
TRP A 179
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
None
None
G39  A1470 (-4.4A)
None
G39  A1470 (-3.7A)
G39  A1470 (-4.2A)
G39  A1470 (-2.9A)
G39  A1470 (-4.5A)
 0.44A 3k37A-4b7jA:
53.2		 3k37A-4b7jA:
33.55
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.
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
 1.24A 3k37A-4bxsV:
undetectable		 3k37A-4bxsV:
14.60
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.
4cgs POLYMERASE SUBUNIT
PA

(Dhori
thogotovirus) 		no annotation 5 ARG A 163
GLU A 162
GLU A  31
GLU A 166
ARG A  28
 None
 1.26A 3k37A-4cgsA:
undetectable		 3k37A-4cgsA:
18.25
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 153
TRP A 176
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 (-4.2A)
None
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)
 0.43A 3k37A-4cpnA:
75.0		 3k37A-4cpnA:
97.23
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 156
TRP A 178
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
None
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)
 0.47A 3k37A-4h53A:
55.1		 3k37A-4h53A:
32.03
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 156
TRP A 178
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
None
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)
 0.46A 3k37A-4hzzA:
52.4		 3k37A-4hzzA:
34.31
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.46A 3k37A-4melA:
undetectable		 3k37A-4melA:
20.35
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 156
TRP A 178
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
None
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)
 0.56A 3k37A-4mjuA:
52.2		 3k37A-4mjuA:
35.08
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
TRP A 178
ARG A 224
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406
 27S  A 501 (-3.4A)
None
None
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)
 1.01A 3k37A-4mjuA:
52.2		 3k37A-4mjuA:
35.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiu NITRONATE
MONOOXYGENASE FAMILY
PROTEIN

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 GLU A 348
ARG A 334
ARG A 343
ALA A  35
GLU A 347
 None
 1.39A 3k37A-4qiuA:
undetectable		 3k37A-4qiuA:
19.06
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  74
TRP A  97
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
TYR A 324
 None
 0.39A 3k37A-4qn3A:
53.7		 3k37A-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.
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)
 1.13A 3k37A-4up7A:
undetectable		 3k37A-4up7A:
18.21
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.
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
 1.36A 3k37A-4z7gA:
undetectable		 3k37A-4z7gA:
21.60
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.
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
 1.43A 3k37A-5b04I:
undetectable		 3k37A-5b04I:
20.09
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.
5f5v PRP38
PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF03371
(PRP38)
PF06991
(MFAP1) 		5 ARG B 239
LEU B 232
TRP B 230
GLU A 209
GLU A 210
 None
 1.42A 3k37A-5f5vB:
undetectable		 3k37A-5f5vB:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		5 ARG A   6
GLU A  77
LEU A  89
ARG A   8
ARG A  75
 None
 1.49A 3k37A-5i3aA:
undetectable		 3k37A-5i3aA:
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.
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
 1.41A 3k37A-5jxrA:
undetectable		 3k37A-5jxrA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.37A 3k37A-5kbrA:
undetectable		 3k37A-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.
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
 1.10A 3k37A-5mpdO:
undetectable		 3k37A-5mpdO:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 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 3k37A-5uouA:
undetectable		 3k37A-5uouA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 12 ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
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
None
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)
 0.50A 3k37A-6br6A:
54.6		 3k37A-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 250
TRP A 337
GLU A 645
ARG A 661
TYR A 766
 G39  A 908 (-2.8A)
None
G39  A 908 (-4.0A)
G39  A 908 (-2.8A)
G39  A 908 (-4.6A)
 0.58A 3k37A-6eksA:
13.8		 3k37A-6eksA:
19.84