SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYU_B_SAMB201_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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 107
GLY A 308
LEU A 112
LEU A 113
LEU A  94
 None
 1.03A 2nyuB-1bkhA:
2.0		 2nyuB-1bkhA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		9 GLY A  59
ALA A  61
GLY A  63
TRP A  65
LEU A  84
LEU A  85
MET A 125
LEU A 143
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 ( 4.2A)
SAM  A 301 (-4.3A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.9A)
 0.48A 2nyuB-1eizA:
26.5		 2nyuB-1eizA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A  59
GLY A  64
MET A 125
LEU A 143
LYS A 164
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.3A)
SAM  A 301 (-4.6A)
SAM  A 301 ( 3.9A)
 0.98A 2nyuB-1eizA:
26.5		 2nyuB-1eizA:
36.46
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
ALA A 138
GLY A 140
LEU A 136
LEU A 103
 FAD  A 451 ( 4.9A)
FAD  A 451 (-4.6A)
FAD  A 451 (-3.5A)
None
None
 1.06A 2nyuB-1geuA:
3.4		 2nyuB-1geuA:
17.32
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 SER Y 221
GLY Y 442
ALA Y 444
GLY Y  78
LEU Y 254
 None
 0.94A 2nyuB-1gllY:
undetectable		 2nyuB-1gllY:
17.81
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.
1k27 5'-DEOXY-5'-METHYLTH
IOADENOSINE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A  13
GLY A  85
LEU A  57
THR A  92
LEU A 251
 None
 1.04A 2nyuB-1k27A:
undetectable		 2nyuB-1k27A:
20.68
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.
1k27 5'-DEOXY-5'-METHYLTH
IOADENOSINE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A  13
GLY A  85
VAL A  91
THR A  92
LEU A 251
 None
 1.01A 2nyuB-1k27A:
undetectable		 2nyuB-1k27A:
20.68
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.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  28
ALA A 155
GLY A 157
LEU A 153
LEU A 118
 FAD  A 499 ( 4.7A)
FAD  A 499 (-4.5A)
FAD  A 499 (-3.4A)
None
NIY  A 114 ( 3.9A)
 1.04A 2nyuB-1k4qA:
3.2		 2nyuB-1k4qA:
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
ALA A 141
GLY A 143
LEU A 139
LEU A 106
 FAD  A 459 ( 4.9A)
FAD  A 459 (-4.5A)
FAD  A 459 (-3.3A)
None
None
 1.02A 2nyuB-1lvlA:
2.9		 2nyuB-1lvlA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A  16
LEU A  40
VAL A  62
THR A  63
 NAD  A1300 (-3.5A)
NAD  A1300 ( 4.3A)
NAD  A1300 (-3.9A)
NAD  A1300 (-3.5A)
NAD  A1300 ( 4.5A)
 0.87A 2nyuB-1nffA:
9.8		 2nyuB-1nffA:
22.99
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.
1qag UTROPHIN ACTIN
BINDING REGION

(Homo sapiens) 		PF00307
(CH) 		5 GLY A  63
ALA A  89
LEU A  90
VAL A  96
LEU A 126
 None
 1.05A 2nyuB-1qagA:
undetectable		 2nyuB-1qagA:
23.08
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 181
 SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.5A)
SAH  A 887 (-3.5A)
None
 0.70A 2nyuB-1r6aA:
14.1		 2nyuB-1r6aA:
20.39
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  17
ALA A  19
LEU A  42
VAL A  65
THR A  66
 NA  A 302 (-3.6A)
None
None
None
None
 0.51A 2nyuB-1so8A:
10.0		 2nyuB-1so8A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A   9
ALA A  11
LEU A  34
VAL A  48
THR A  49
 ADN  A1001 (-3.5A)
ADN  A1001 ( 3.7A)
ADN  A1001 (-4.3A)
ADN  A1001 (-3.6A)
ADN  A1001 ( 4.5A)
 0.71A 2nyuB-1uayA:
9.1		 2nyuB-1uayA:
24.81
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  10
ALA A 151
GLY A 153
LEU A 149
LEU A 105
 FAD  A 999 (-4.8A)
None
FAD  A 999 (-3.3A)
None
None
 1.06A 2nyuB-1xdiA:
4.3		 2nyuB-1xdiA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A 252
ALA A 352
GLY A 396
LEU A 250
THR A 333
 None
 0.97A 2nyuB-1yzyA:
2.4		 2nyuB-1yzyA:
20.77
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		6 GLY A 158
GLY A 332
LEU A 155
LEU A 180
VAL A 114
THR A 115
 None
 1.43A 2nyuB-2himA:
undetectable		 2nyuB-2himA:
17.81
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.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		5 GLY A  13
ALA A  15
LEU A  39
VAL A  61
THR A  62
 NAD  A 256 (-3.2A)
NAD  A 256 ( 3.8A)
NAD  A 256 (-3.8A)
NAD  A 256 (-4.0A)
NAD  A 256 ( 4.9A)
 0.95A 2nyuB-2hsdA:
8.6		 2nyuB-2hsdA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6e HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02621
(VitK2_biosynth) 		5 GLY A 150
ALA A 108
LEU A 109
THR A 188
LEU A 101
 None
 0.99A 2nyuB-2i6eA:
undetectable		 2nyuB-2i6eA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		8 SER A   4
GLY A  30
ALA A  32
GLY A  34
LEU A  63
LEU A  64
VAL A  80
THR A  81
 SAM  A 201 ( 4.8A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.8A)
SAM  A 201 (-3.7A)
SAM  A 201 (-4.2A)
SAM  A 201 (-4.1A)
SAM  A 201 (-3.9A)
SAM  A 201 ( 4.1A)
 1.24A 2nyuB-2nyuA:
35.5		 2nyuB-2nyuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		12 SER A   6
GLY A  30
ALA A  32
GLY A  34
TRP A  36
LEU A  63
LEU A  64
VAL A  80
THR A  81
MET A 105
LEU A 123
LYS A 144
 SAM  A 201 (-2.5A)
SAM  A 201 (-3.5A)
SAM  A 201 (-3.8A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-4.1A)
SAM  A 201 (-3.9A)
SAM  A 201 ( 4.1A)
SAM  A 201 (-3.9A)
None
SAM  A 201 (-3.5A)
 0.42A 2nyuB-2nyuA:
35.5		 2nyuB-2nyuA:
100.00
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 GLY A 221
ALA A 198
GLY A 201
LEU A 226
THR A 367
 GLY  A 221 ( 0.0A)
ALA  A 198 ( 0.0A)
GLY  A 201 ( 0.0A)
LEU  A 226 ( 0.6A)
THR  A 367 ( 0.8A)
 1.00A 2nyuB-2ogsA:
2.0		 2nyuB-2ogsA:
16.17
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  86
TRP A  88
LEU A 106
LYS A 184
 SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 0.62A 2nyuB-2oxtA:
14.8		 2nyuB-2oxtA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A 301 (-3.0A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.9A)
 0.31A 2nyuB-2oy0A:
14.2		 2nyuB-2oy0A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		5 GLY A  52
GLY A  56
VAL A 107
THR A 108
LEU A 156
 None
 1.00A 2nyuB-2ozvA:
11.8		 2nyuB-2ozvA:
22.26
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 ALA A 213
GLY A 272
LEU A 212
VAL A 239
THR A 240
 None
 1.05A 2nyuB-2pbyA:
undetectable		 2nyuB-2pbyA:
23.83
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  61
GLY A  59
LEU A  36
THR A 303
LEU A  16
 None
 0.97A 2nyuB-2pgwA:
undetectable		 2nyuB-2pgwA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		5 GLY A  30
GLY A  34
TRP A  36
LEU A 132
LYS A 153
 SAM  A 203 (-3.4A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
SAM  A 203 (-4.9A)
SAM  A 203 ( 4.1A)
 0.57A 2nyuB-2plwA:
25.9		 2nyuB-2plwA:
33.49
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.4A)
SAH  A 500 (-3.6A)
None
 0.72A 2nyuB-2px5A:
14.3		 2nyuB-2px5A:
22.39
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.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		5 GLY A 132
ALA A 223
GLY A 224
LEU A 140
LEU A   5
 None
 1.04A 2nyuB-2qflA:
undetectable		 2nyuB-2qflA:
19.41
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.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 279
GLY A 277
LEU A 171
VAL A 304
LEU A 297
 None
 0.93A 2nyuB-2rkbA:
undetectable		 2nyuB-2rkbA:
19.88
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.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		5 GLY A  68
ALA A  70
GLY A  72
VAL A 116
LYS A 175
 SAH  A 400 (-3.4A)
SAH  A 400 (-4.2A)
SAH  A 400 (-3.5A)
SAH  A 400 (-3.5A)
None
 0.73A 2nyuB-2vp3A:
10.0		 2nyuB-2vp3A:
20.38
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.
2vr3 CLUMPING FACTOR A

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 GLY A 287
LEU A 283
VAL A 315
MET A 335
LEU A 333
 None
 1.00A 2nyuB-2vr3A:
undetectable		 2nyuB-2vr3A:
20.18
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		7 GLY A  82
GLY A  86
TRP A  88
LEU A 106
VAL A 133
THR A 134
LYS A 184
 SAM  A1248 (-3.3A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.7A)
SAM  A1248 (-4.1A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.8A)
None
 0.73A 2nyuB-2wa2A:
15.4		 2nyuB-2wa2A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
ALA C  11
LEU C  34
VAL C  62
THR C  63
 NAD  C4300 (-3.6A)
NAD  C4300 ( 4.0A)
NAD  C4300 ( 4.4A)
NAD  C4300 (-3.6A)
NAD  C4300 ( 4.1A)
 0.67A 2nyuB-3a28C:
7.4		 2nyuB-3a28C:
22.39
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 SER B 314
GLY B 285
ALA B 288
GLY B 292
VAL B 408
 None
 0.99A 2nyuB-3amjB:
undetectable		 2nyuB-3amjB:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 GLY A  17
ALA A  19
LEU A  42
VAL A  68
THR A  69
 None
 0.98A 2nyuB-3awdA:
4.1		 2nyuB-3awdA:
21.37
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
TRP A  52
LEU A  68
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.5A)
 0.29A 2nyuB-3douA:
25.3		 2nyuB-3douA:
26.87
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.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		5 SER A 255
GLY A  49
GLY A 295
LEU A  64
LEU A 136
 None
 0.88A 2nyuB-3dr2A:
undetectable		 2nyuB-3dr2A:
21.48
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.
3e8t TAKEOUT-LIKE PROTEIN
1

(Epiphyas
postvittana) 		PF06585
(JHBP) 		5 ALA A  91
GLY A  65
LEU A 116
LEU A 118
LEU A  58
 UQ8  A 221 ( 4.7A)
None
None
UQ8  A 221 (-4.9A)
None
 0.98A 2nyuB-3e8tA:
undetectable		 2nyuB-3e8tA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		6 GLY A  81
GLY A  85
TRP A  87
LEU A 105
VAL A 132
LYS A 182
 SAM  A4633 (-3.2A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.1A)
SAM  A4633 (-3.4A)
None
 0.68A 2nyuB-3eluA:
14.4		 2nyuB-3eluA:
25.37
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
LEU A 105
LYS A 182
 SAH  A 901 (-3.4A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.0A)
None
 0.65A 2nyuB-3evcA:
14.4		 2nyuB-3evcA:
20.64
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 109
GLY A 310
LEU A 114
LEU A 115
LEU A  96
 None
 0.99A 2nyuB-3fj4A:
2.3		 2nyuB-3fj4A:
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		6 GLY A  18
ALA A  20
LEU A  43
VAL A  69
THR A  70
LEU A 117
 None
 0.83A 2nyuB-3gafA:
4.2		 2nyuB-3gafA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		6 GLY A  81
GLY A  85
TRP A  87
LEU A 105
VAL A 132
LYS A 183
 SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.0A)
SAM  A4633 (-3.6A)
SAM  A4633 ( 4.8A)
 0.71A 2nyuB-3gczA:
14.7		 2nyuB-3gczA:
22.92
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 SER A1235
GLY A1295
ALA A1275
GLY A1253
LEU A1361
 None
 0.98A 2nyuB-3greA:
undetectable		 2nyuB-3greA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 GLY A 173
ALA A 200
LEU A 197
THR A 183
LEU A  97
 None
 1.06A 2nyuB-3irvA:
4.2		 2nyuB-3irvA:
24.31
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.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		5 SER A 337
GLY A 372
GLY A 397
VAL A 424
THR A 423
 None
 1.06A 2nyuB-3k3nA:
undetectable		 2nyuB-3k3nA:
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.
3ksr PUTATIVE SERINE
HYDROLASE

(Xanthomonas
campestris) 		PF00326
(Peptidase_S9) 		5 GLY A 111
ALA A 132
LEU A 133
THR A 118
LEU A 126
 None
PO4  A 290 ( 3.8A)
None
None
None
 0.96A 2nyuB-3ksrA:
4.2		 2nyuB-3ksrA:
22.33
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		5 SER A 337
GLY A 372
GLY A 397
VAL A 424
THR A 423
 EDO  A 459 (-2.8A)
None
None
None
None
 1.01A 2nyuB-3kv4A:
undetectable		 2nyuB-3kv4A:
18.26
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SFG  A 301 (-3.5A)
SFG  A 301 ( 4.4A)
SFG  A 301 (-3.7A)
SFG  A 301 (-4.1A)
SFG  A 301 ( 4.1A)
 0.36A 2nyuB-3lkzA:
14.6		 2nyuB-3lkzA:
19.94
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.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		6 SER A 222
GLY A 379
LEU A 207
LEU A 209
THR A 198
LEU A 192
 None
 1.48A 2nyuB-3m7dA:
undetectable		 2nyuB-3m7dA:
21.93
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 SER A 224
ALA A 205
GLY A 202
LEU A 144
LEU A 172
 None
 0.99A 2nyuB-3n6zA:
undetectable		 2nyuB-3n6zA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocq PUTATIVE
CYTOSINE/ADENOSINE
DEAMINASE

(Salmonella
enterica) 		PF14437
(MafB19-deam) 		6 GLY A  53
ALA A  73
GLY A  55
LEU A  86
LEU A  74
VAL A  80
 None
 1.36A 2nyuB-3ocqA:
undetectable		 2nyuB-3ocqA:
21.57
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.
3owv DNA-ENTRY NUCLEASE

(Streptococcus
pneumoniae) 		PF01223
(Endonuclease_NS) 		6 SER A 237
GLY A 163
ALA A 160
GLY A 159
THR A 121
LEU A 117
 None
CL  A 401 (-3.6A)
CL  A 401 ( 4.1A)
MG  A 300 ( 4.5A)
None
None
 1.45A 2nyuB-3owvA:
undetectable		 2nyuB-3owvA:
22.36
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.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A  15
ALA A  17
LEU A  40
VAL A  63
THR A  64
LEU A 117
 GOL  A 302 ( 3.3A)
None
GOL  A 302 ( 4.4A)
GOL  A 302 (-3.6A)
None
None
 0.89A 2nyuB-3ppiA:
8.3		 2nyuB-3ppiA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 GLY A 396
GLY A 399
LEU A 666
LEU A 377
THR A 651
 None
 1.02A 2nyuB-3v9fA:
undetectable		 2nyuB-3v9fA:
12.88
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A  78
GLY A  33
LEU A  49
VAL A 153
THR A 154
 None
 0.89A 2nyuB-4ao7A:
3.6		 2nyuB-4ao7A:
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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		5 SER A 370
ALA A 212
GLY A 214
THR A 264
LEU A 205
 None
 0.92A 2nyuB-4aoaA:
undetectable		 2nyuB-4aoaA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 SER A 188
GLY A 219
GLY A 223
TRP A 225
MET A 278
 None
EDO  A1373 (-3.8A)
None
None
None
 0.95A 2nyuB-4aukA:
15.6		 2nyuB-4aukA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 SER A 160
GLY A 164
GLY A 150
LEU A 186
LEU A 410
 AOV  A1001 (-3.0A)
None
None
None
None
 1.02A 2nyuB-4byfA:
undetectable		 2nyuB-4byfA:
15.37
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		6 SER A  46
GLY A  14
ALA A 228
GLY A 230
LEU A 226
LEU A 189
 FAD  A 551 (-2.5A)
FAD  A 551 (-3.3A)
FAD  A 551 ( 4.8A)
FAD  A 551 (-3.6A)
None
None
 1.31A 2nyuB-4c3yA:
2.7		 2nyuB-4c3yA:
17.08
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 GLY A 359
ALA A 362
GLY A 364
LEU A 310
THR A 351
 None
None
GOL  A 502 ( 4.2A)
None
None
 1.02A 2nyuB-4dzhA:
undetectable		 2nyuB-4dzhA:
17.41
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 259
ALA A 284
GLY A 261
LEU A 290
LEU A 285
 None
 0.97A 2nyuB-4ewgA:
undetectable		 2nyuB-4ewgA:
20.24
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.
4gzi GLUCAN
ENDO-1,3-BETA-D-GLUC
OSIDASE

(Solanum
tuberosum) 		PF00332
(Glyco_hydro_17) 		5 SER A 125
GLY A 122
LEU A 163
THR A 245
LEU A 196
 None
 0.84A 2nyuB-4gziA:
undetectable		 2nyuB-4gziA:
21.17
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.
4jat ALPHA-PYRONE
SYNTHESIS POLYKETIDE
SYNTHASE-LIKE PKS11

(Mycobacterium
tuberculosis) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 108
GLY A 236
LEU A 167
LEU A 170
LEU A 114
 None
 0.87A 2nyuB-4jatA:
undetectable		 2nyuB-4jatA:
19.66
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 170
GLY A 237
ALA A 345
GLY A 347
LEU A  14
 None
 1.05A 2nyuB-4jb6A:
undetectable		 2nyuB-4jb6A:
18.78
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 GLY D  10
ALA D  85
GLY D  12
LEU D  91
LEU D  86
 None
 1.06A 2nyuB-4jrmD:
undetectable		 2nyuB-4jrmD:
19.62
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.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 SER A 136
GLY A 226
ALA A 196
GLY A 195
VAL A 253
 SAM  A 402 (-3.9A)
None
None
None
None
 0.96A 2nyuB-4jxcA:
undetectable		 2nyuB-4jxcA:
23.31
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 GLY E  20
ALA E 160
GLY E 162
LEU E 158
LEU E 120
 FAD  E 505 ( 4.8A)
FAD  E 505 (-4.6A)
FAD  E 505 (-3.4A)
None
None
 1.05A 2nyuB-4kprE:
2.8		 2nyuB-4kprE:
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 281
LEU A 302
THR A 337
LEU A 383
LYS A 404
 SAM  A 601 (-3.6A)
SAM  A 601 (-4.1A)
SAM  A 601 ( 3.9A)
SAM  A 601 (-4.6A)
SAM  A 601 ( 4.1A)
 0.73A 2nyuB-4n49A:
15.1		 2nyuB-4n49A:
17.87
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.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		5 GLY A  13
ALA A  15
LEU A  38
VAL A  55
THR A  56
 NAD  A 301 (-3.0A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-4.4A)
NAD  A 301 (-3.7A)
NAD  A 301 ( 3.5A)
 0.69A 2nyuB-4nbtA:
9.6		 2nyuB-4nbtA:
20.90
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A4419
GLY A4233
LEU A4578
THR A4391
LEU A4389
 None
 0.87A 2nyuB-4opeA:
undetectable		 2nyuB-4opeA:
16.58
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 SER A  24
GLY A  98
ALA A  93
LEU A  88
THR A 344
 None
 0.96A 2nyuB-4q7aA:
undetectable		 2nyuB-4q7aA:
21.35
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLY A  13
ALA A  15
LEU A  38
VAL A  64
THR A  65
 None
 0.73A 2nyuB-4trrA:
9.4		 2nyuB-4trrA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 6 GLY A1696
GLY A1700
TRP A1702
LEU A1720
THR A1757
LYS A1817
 None
 1.03A 2nyuB-4uclA:
9.9		 2nyuB-4uclA:
16.87
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		6 GLY A  14
ALA A  16
LEU A  39
LEU A  40
VAL A  65
THR A  66
 None
 0.95A 2nyuB-4weoA:
9.1		 2nyuB-4weoA:
22.43
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 SER A  36
GLY A 140
ALA A 142
LEU A 137
LEU A  29
 None
 1.01A 2nyuB-4z7yA:
undetectable		 2nyuB-4z7yA:
19.16
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 GLY A1670
GLY A1675
LEU A1694
MET A1763
LYS A1795
 None
 0.99A 2nyuB-5a22A:
14.3		 2nyuB-5a22A:
7.01
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 GLY A 408
ALA A 404
GLY A 402
LEU A 297
LEU A 321
 None
 1.04A 2nyuB-5cbmA:
undetectable		 2nyuB-5cbmA:
16.60
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		6 SER A 427
GLY A 408
ALA A 404
GLY A 402
THR A 415
LEU A 321
 None
 1.44A 2nyuB-5cbmA:
undetectable		 2nyuB-5cbmA:
16.60
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 GLY A  79
ALA A  81
GLY A  83
LEU A 103
THR A 131
 SAM  A 601 (-3.8A)
None
None
SAM  A 601 (-4.2A)
None
 0.90A 2nyuB-5dpdA:
11.1		 2nyuB-5dpdA:
15.40
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 180
 SAM  A 301 (-3.3A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.8A)
 0.78A 2nyuB-5e9qA:
13.9		 2nyuB-5e9qA:
22.06
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		5 SER A  72
ALA A 127
LEU A 109
LEU A 111
THR A 132
 None
 1.04A 2nyuB-5eyyA:
undetectable		 2nyuB-5eyyA:
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.
5hj2 INTEGRIN ALPHA-2

(Homo sapiens) 		no annotation 5 ALA C 189
GLY C 190
LEU C 185
THR C  77
LEU C  48
 None
 0.96A 2nyuB-5hj2C:
undetectable		 2nyuB-5hj2C:
20.75
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.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 180
 SAM  A 311 (-3.2A)
SAM  A 311 ( 4.5A)
SAM  A 311 (-3.5A)
SAM  A 311 (-3.7A)
None
 0.67A 2nyuB-5ikmA:
14.1		 2nyuB-5ikmA:
22.11
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 180
 SAH  A1003 (-3.4A)
SAH  A1003 ( 4.6A)
SAH  A1003 (-3.4A)
SAH  A1003 (-3.7A)
None
 0.72A 2nyuB-5jjrA:
13.9		 2nyuB-5jjrA:
12.35
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		6 SER A 574
ALA A 421
GLY A 422
VAL A 414
THR A 494
LEU A 407
 None
 1.47A 2nyuB-5ju6A:
undetectable		 2nyuB-5ju6A:
14.00
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.
5kxb WISTERIA FLORIBUNDA
AGGLUTININ

(Wisteria
floribunda) 		PF00139
(Lectin_legB) 		5 ALA A 242
LEU A 139
LEU A 137
THR A 128
LEU A  81
 None
 1.00A 2nyuB-5kxbA:
undetectable		 2nyuB-5kxbA:
19.92
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
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 GLY N 592
ALA N 590
LEU N 571
VAL N 602
THR N 601
 None
 0.97A 2nyuB-5mpdN:
undetectable		 2nyuB-5mpdN:
12.49
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.6A)
None
 0.74A 2nyuB-5njuA:
13.7		 2nyuB-5njuA:
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 111
LEU A 248
LEU A 301
THR A 115
LEU A 272
 None
 1.06A 2nyuB-5td3A:
undetectable		 2nyuB-5td3A:
20.62
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
TRP A  87
VAL A 132
LYS A 182
 SAH  A1001 (-3.4A)
SAH  A1001 ( 4.9A)
SAH  A1001 (-3.5A)
SAH  A1001 (-4.0A)
None
 0.79A 2nyuB-5tmhA:
16.0		 2nyuB-5tmhA:
13.06
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  16
ALA A 142
GLY A 144
LEU A 140
LEU A 107
 None
FAD  A 501 (-4.4A)
FAD  A 501 (-3.4A)
None
None
 1.01A 2nyuB-5u1oA:
undetectable		 2nyuB-5u1oA:
19.11
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  22
ALA A 148
GLY A 150
LEU A 146
LEU A 113
 None
FAD  A 502 (-4.6A)
FAD  A 502 (-3.3A)
None
None
 1.06A 2nyuB-5vdnA:
2.5		 2nyuB-5vdnA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 GLY A 544
GLY A 561
LEU A 547
LEU A 548
THR A 503
 SAH  A1002 (-3.4A)
None
SAH  A1002 (-3.7A)
SAH  A1002 ( 4.7A)
None
 0.99A 2nyuB-5wmmA:
11.1		 2nyuB-5wmmA:
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 5 SER A 583
GLY A 651
ALA A 649
LEU A 640
THR A 636
 None
 0.89A 2nyuB-5ze3A:
undetectable		 2nyuB-5ze3A:
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 GLY A  11
ALA A 137
GLY A 139
LEU A 135
LEU A 102
 FAD  A 501 ( 4.9A)
FAD  A 501 (-4.8A)
FAD  A 501 (-3.3A)
None
None
 1.06A 2nyuB-6b4oA:
undetectable		 2nyuB-6b4oA:
17.04
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY A 528
ALA A 525
GLY A 523
LEU A 427
LEU A 361
 None
 1.02A 2nyuB-6coyA:
undetectable		 2nyuB-6coyA:
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.
6f9g METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
MCPU

(Pseudomonas
putida) 		no annotation 5 SER A 109
ALA A  84
GLY A  82
LEU A 220
LEU A  98
 None
 1.02A 2nyuB-6f9gA:
undetectable		 2nyuB-6f9gA:
undetectable