SIMILAR PATTERNS OF AMINO ACIDS FOR 5WWS_B_SAMB501_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.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		5 ALA A  55
GLY A  44
ASP A 102
ILE A  99
GLY A 179
 None
 1.26A 5wwsB-1azzA:
undetectable		 5wwsB-1azzA:
19.34
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.
1dc1 BSOBI RESTRICTION
ENDONUCLEASE

(Geobacillus
stearothermophilus) 		PF09194
(Endonuc-BsobI) 		5 ALA A 136
GLY A 243
LYS A 242
GLY A 186
ASP A 212
 DIO  A1002 (-3.6A)
None
None
None
None
 1.01A 5wwsB-1dc1A:
undetectable		 5wwsB-1dc1A:
21.30
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		6 ALA A  61
PRO A  62
GLY A  64
ASP A  83
ASP A  99
ASP A 124
 SAM  A 301 (-4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.63A 5wwsB-1eizA:
10.9		 5wwsB-1eizA:
16.67
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.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 ALA A 157
LYS A 152
ILE A 155
ASP A 149
GLY A  10
 None
 1.03A 5wwsB-1hyqA:
undetectable		 5wwsB-1hyqA:
22.18
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 PRO A  11
GLY A   7
ASP A 203
ILE A 202
ASP A  14
 None
None
MG  A 403 ( 4.3A)
None
MN  A 402 (-3.3A)
 1.26A 5wwsB-1i74A:
undetectable		 5wwsB-1i74A:
20.45
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.
1jal YCHF PROTEIN

(Haemophilus
influenzae) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ALA A 301
PRO A 302
ILE A 350
ASP A 353
GLY A 354
 None
 1.26A 5wwsB-1jalA:
undetectable		 5wwsB-1jalA:
21.66
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.
1k20 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
gordonii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 PRO A  12
GLY A   8
ASP A 205
ILE A 204
ASP A  15
 None
None
GOL  A 710 (-3.6A)
GOL  A 710 ( 4.7A)
MN  A 702 (-3.1A)
 1.19A 5wwsB-1k20A:
undetectable		 5wwsB-1k20A:
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 ALA A  84
PRO A  85
GLY A 430
ILE A 173
GLY A 145
 None
 1.13A 5wwsB-1kzhA:
undetectable		 5wwsB-1kzhA:
22.20
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.
1m6z CYTOCHROME C4

(Pseudomonas
stutzeri) 		PF00034
(Cytochrom_C) 		5 ALA A  82
GLY A   7
LYS A  10
ASP A  46
ASP A  77
 None
 1.17A 5wwsB-1m6zA:
undetectable		 5wwsB-1m6zA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9u EARTHWORM
FIBRINOLYTIC ENZYME

(Eisenia fetida) 		PF00089
(Trypsin) 		5 ALA A 171
GLY A 173
ILE A 163
ASP A 185
GLY A 186
 None
 1.14A 5wwsB-1m9uA:
undetectable		 5wwsB-1m9uA:
17.91
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.
1nlt MITOCHONDRIAL
PROTEIN IMPORT
PROTEIN MAS5

(Saccharomyces
cerevisiae) 		PF00684
(DnaJ_CXXCXGXG)
PF01556
(DnaJ_C) 		5 ALA A 239
PRO A 240
GLY A 148
ASP A 246
GLY A 234
 None
 1.25A 5wwsB-1nltA:
undetectable		 5wwsB-1nltA:
20.25
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 PRO A  64
GLY A  86
LYS A 107
ILE A 234
GLY A 193
 None
 1.26A 5wwsB-1qu4A:
undetectable		 5wwsB-1qu4A:
25.40
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.
1ska 3-PHYTASE A

(Aspergillus
fumigatus) 		PF00328
(His_Phos_2) 		5 PRO A 178
GLY A 139
ASP A 311
GLY A 295
ASP A 188
 None
 1.03A 5wwsB-1skaA:
undetectable		 5wwsB-1skaA:
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		7 ALA A 256
PRO A 257
GLY A 259
ASP A 277
ASP A 303
GLY A 304
ASP A 322
 None
 0.75A 5wwsB-1sqgA:
31.3		 5wwsB-1sqgA:
28.40
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		7 CYH A 254
ALA A 256
PRO A 257
GLY A 259
ASP A 303
GLY A 304
ASP A 322
 None
 0.75A 5wwsB-1sqgA:
31.3		 5wwsB-1sqgA:
28.40
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		5 CYH A 254
PRO A 257
GLY A 259
GLY A 302
ASP A 322
 None
 1.25A 5wwsB-1sqgA:
31.3		 5wwsB-1sqgA:
28.40
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PRO B 775
ILE B 768
ASP B 759
GLY B 457
ASP B 649
 None
 1.13A 5wwsB-1t3qB:
undetectable		 5wwsB-1t3qB:
19.83
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.
1txu RAB5 GDP/GTP
EXCHANGE FACTOR

(Homo sapiens) 		PF02204
(VPS9) 		5 PRO A 329
ASP A 235
LYS A 234
ILE A 238
ASP A 230
 PRO  A 329 ( 1.1A)
ASP  A 235 ( 0.5A)
LYS  A 234 ( 0.0A)
ILE  A 238 ( 0.4A)
ASP  A 230 ( 0.6A)
 0.94A 5wwsB-1txuA:
undetectable		 5wwsB-1txuA:
18.45
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		5 CYH A 274
ALA A 276
PRO A 197
GLY A 236
GLY A 326
 None
None
None
None
CTP  A 500 (-3.6A)
 1.06A 5wwsB-1u7wA:
3.2		 5wwsB-1u7wA:
18.96
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 ALA A 167
PRO A 168
GLY A 147
ASP A 209
ASP A 308
 None
 1.13A 5wwsB-1vblA:
undetectable		 5wwsB-1vblA:
22.16
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.
1zl0 HYPOTHETICAL PROTEIN
PA5198

(Pseudomonas
aeruginosa) 		PF02016
(Peptidase_S66) 		5 ALA A 131
PRO A 130
GLY A 128
ILE A 112
GLY A 191
 None
 1.21A 5wwsB-1zl0A:
undetectable		 5wwsB-1zl0A:
21.56
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		7 CYH A 234
ALA A 236
PRO A 237
LYS A 240
ASP A 258
ASP A 285
ASP A 305
 SAM  A1201 (-3.8A)
SAM  A1201 (-4.1A)
SAM  A1201 (-3.7A)
SAM  A1201 (-3.1A)
SAM  A1201 (-2.6A)
SAM  A1201 (-3.6A)
SAM  A1201 (-3.7A)
 0.40A 5wwsB-2b9eA:
28.9		 5wwsB-2b9eA:
26.49
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		5 ALA A 144
GLY A 146
LYS A 147
GLY A   9
ASP A 158
 None
None
None
FAD  A2304 ( 4.8A)
None
 1.22A 5wwsB-2cvjA:
undetectable		 5wwsB-2cvjA:
15.45
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A  26
LYS A  25
ASP A  63
GLY A 112
ASP A  23
 None
 1.24A 5wwsB-2d3tA:
6.2		 5wwsB-2d3tA:
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 281
GLY A 268
ASP A 260
ILE A 297
GLY A 198
 NAD  A1403 ( 4.0A)
None
None
None
None
 1.20A 5wwsB-2dphA:
6.1		 5wwsB-2dphA:
20.56
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 PRO A  12
GLY A   8
ASP A 205
ILE A 204
ASP A  15
 None
None
MG  A 501 ( 4.0A)
None
MN  A 402 (-3.2A)
 1.21A 5wwsB-2enxA:
undetectable		 5wwsB-2enxA:
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 GLY A 719
LYS A 643
ILE A 645
ASP A 582
GLY A 584
 None
 1.11A 5wwsB-2fgeA:
undetectable		 5wwsB-2fgeA:
18.66
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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		5 ALA A 127
PRO A 128
ASP A 176
GLY A 177
ASP A 194
 None
 1.07A 5wwsB-2frxA:
31.1		 5wwsB-2frxA:
22.56
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 160
LYS A  65
ILE A 194
GLY A 186
ASP A 155
 None
None
None
LLP  A  58 ( 3.4A)
None
 1.09A 5wwsB-2gn1A:
2.5		 5wwsB-2gn1A:
21.73
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.
2gop TRILOBED PROTEASE

(Pyrococcus
furiosus) 		PF07676
(PD40) 		5 GLY A 251
LYS A 252
LYS A 274
ASP A 291
GLY A 292
 None
 1.11A 5wwsB-2gopA:
undetectable		 5wwsB-2gopA:
22.38
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		6 PRO A 357
GLY A 359
LYS A 300
ILE A 326
ASP A 255
GLY A 256
 None
 1.18A 5wwsB-2iceA:
undetectable		 5wwsB-2iceA:
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 CYH A 324
ALA A 322
GLY A 350
ASP A 207
GLY A 224
 None
 1.02A 5wwsB-2ip4A:
2.4		 5wwsB-2ip4A:
23.30
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 595
PRO A 596
ASP A 184
ASP A 712
GLY A 715
 None
 1.15A 5wwsB-2ivfA:
undetectable		 5wwsB-2ivfA:
20.16
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.
2lj4 PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE/ROTAMASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00639
(Rotamase) 		5 GLY A 110
LYS A  16
ASP A  76
GLY A  74
ASP A  67
 None
 1.19A 5wwsB-2lj4A:
undetectable		 5wwsB-2lj4A:
14.01
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		5 ALA A  32
PRO A  33
ASP A  62
ASP A  79
ASP A 104
 SAM  A 201 (-3.8A)
SAM  A 201 (-3.4A)
SAM  A 201 (-2.8A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
 0.55A 5wwsB-2nyuA:
10.6		 5wwsB-2nyuA:
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 ALA A 425
PRO A 426
LYS A 358
GLY A 234
ASP A 356
 None
PO4  A   1 (-4.2A)
None
None
None
 1.05A 5wwsB-2o5pA:
undetectable		 5wwsB-2o5pA:
21.18
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.
2uxy ALIPHATIC AMIDASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 CYH A  91
ALA A  39
GLY A  44
ILE A  86
GLY A 126
 None
None
None
SO4  A1343 ( 4.2A)
None
 1.13A 5wwsB-2uxyA:
undetectable		 5wwsB-2uxyA:
20.21
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		7 ALA A 269
PRO A 270
GLY A 272
LYS A 273
ASP A 291
ASP A 318
ASP A 337
 SFG  A5748 (-4.3A)
SFG  A5748 (-3.6A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
SFG  A5748 (-2.9A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.6A)
 0.36A 5wwsB-2yxlA:
35.6		 5wwsB-2yxlA:
27.50
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		7 CYH A  91
ALA A  93
PRO A  94
GLY A  96
LYS A  97
ASP A 142
ASP A 163
 SFG  A 500 (-3.8A)
SFG  A 500 (-3.7A)
SFG  A 500 (-3.9A)
SFG  A 500 (-3.5A)
SFG  A 500 (-2.8A)
SFG  A 500 (-4.0A)
SFG  A 500 (-3.7A)
 0.41A 5wwsB-3a4tA:
29.5		 5wwsB-3a4tA:
24.84
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.
3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE

(Escherichia
coli) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 ALA A 168
PRO A 169
GLY A  20
LYS A 171
GLY A 158
 None
None
None
None
GSH  A 290 (-3.4A)
 1.26A 5wwsB-3c8eA:
undetectable		 5wwsB-3c8eA:
21.46
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 PRO A  49
GLY A  51
ASP A  67
ASP A  83
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.2A)
SAM  A   1 (-2.7A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.66A 5wwsB-3douA:
9.8		 5wwsB-3douA:
18.03
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.
3gwe 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE III

(Burkholderia
pseudomallei) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 CYH A 142
ALA A 140
GLY A 133
ASP A  82
ASP A  79
 None
 1.19A 5wwsB-3gweA:
undetectable		 5wwsB-3gweA:
21.10
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.
3i3o SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 ALA A 259
PRO A 260
ILE A  62
ASP A  53
GLY A  51
 None
None
None
MG  A 306 ( 2.5A)
NAE  A 311 (-3.5A)
 1.18A 5wwsB-3i3oA:
6.5		 5wwsB-3i3oA:
22.27
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.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		5 CYH A 219
ALA A 510
GLY A 243
ILE A 532
ASP A 213
 None
 1.03A 5wwsB-3i6sA:
undetectable		 5wwsB-3i6sA:
20.25
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.
3iu5 PROTEIN POLYBROMO-1

(Homo sapiens) 		PF00439
(Bromodomain) 		5 ALA A  75
PRO A  76
ASP A  93
LYS A  96
ILE A  92
 None
 1.25A 5wwsB-3iu5A:
undetectable		 5wwsB-3iu5A:
14.47
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 ALA A  65
GLY A 257
ILE A 158
ASP A 161
GLY A  57
 None
 1.21A 5wwsB-3kizA:
undetectable		 5wwsB-3kizA:
23.17
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.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		5 ALA A 110
PRO A 109
GLY A  76
ASP A 114
GLY A  95
 None
 1.24A 5wwsB-3kweA:
undetectable		 5wwsB-3kweA:
18.90
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		6 CYH A 113
ALA A 115
PRO A 116
GLY A 118
LYS A 119
ASP A 182
 None
 0.52A 5wwsB-3m4xA:
32.5		 5wwsB-3m4xA:
23.46
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 ALA A 111
PRO A 112
GLY A 114
LYS A 115
ASP A 177
 None
 0.38A 5wwsB-3m6xA:
33.7		 5wwsB-3m6xA:
24.68
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.
3mmn HISTIDINE KINASE
HOMOLOG

(Arabidopsis
thaliana) 		PF00072
(Response_reg) 		5 CYH A1051
GLY A1019
ILE A1079
GLY A1083
ASP A1057
 None
 1.13A 5wwsB-3mmnA:
undetectable		 5wwsB-3mmnA:
19.09
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ALA A 410
PRO A 409
GLY A 402
ASP A 471
GLY A 426
 None
 1.24A 5wwsB-3nlcA:
undetectable		 5wwsB-3nlcA:
20.35
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.
3oce FUMARATE LYASE:DELTA
CRYSTALLIN

(Brucella
abortus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 114
GLY A 119
ILE A 110
GLY A  21
ASP A 124
 None
 1.17A 5wwsB-3oceA:
undetectable		 5wwsB-3oceA:
22.79
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.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ALA A  94
PRO A  95
GLY A  96
ASP A 112
GLY A 113
 None
 1.26A 5wwsB-3penA:
undetectable		 5wwsB-3penA:
23.71
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		5 ALA A  76
PRO A  77
ILE A 102
ASP A   9
GLY A  11
 None
 1.17A 5wwsB-3r1xA:
undetectable		 5wwsB-3r1xA:
21.56
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.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		5 ALA A 266
PRO A 267
ILE A  67
ASP A  58
GLY A  56
 None
None
None
MG  A 296 ( 2.5A)
NAD  A 300 ( 3.7A)
 1.26A 5wwsB-3r3sA:
6.7		 5wwsB-3r3sA:
22.31
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		5 ALA A 307
GLY A 285
LYS A 328
ASP A 327
GLY A 326
 None
 1.14A 5wwsB-3sb4A:
undetectable		 5wwsB-3sb4A:
22.90
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		6 PRO A 123
GLY A  35
ASP A   7
ILE A 127
GLY A  29
ASP A  14
 None
None
None
None
None
CA  A 400 (-2.3A)
 1.37A 5wwsB-3t8iA:
2.4		 5wwsB-3t8iA:
22.18
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.
3thn EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		5 PRO A 232
GLY A 248
LYS A 247
ILE A 223
ASP A 245
 None
 1.11A 5wwsB-3thnA:
undetectable		 5wwsB-3thnA:
22.57
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.
3tho EXONUCLEASE,
PUTATIVE

(Thermotoga
maritima) 		PF00149
(Metallophos) 		5 PRO B 232
GLY B 248
LYS B 247
ILE B 223
ASP B 245
 None
 1.12A 5wwsB-3thoB:
undetectable		 5wwsB-3thoB:
22.78
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.
3w1e FLAGELLA BASAL-BODY
PROTEIN

(Vibrio
alginolyticus) 		PF16538
(FlgT_C)
PF16539
(FlgT_M)
PF16548
(FlgT_N) 		5 GLY A 284
ILE A 266
ASP A 205
GLY A 206
ASP A 282
 None
 1.12A 5wwsB-3w1eA:
undetectable		 5wwsB-3w1eA:
22.73
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.
3wla OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Sphingopyxis
sp. 113P3) 		no annotation 5 ALA A 113
PRO A 114
ASP A 127
GLY A 126
ASP A 119
 None
 1.25A 5wwsB-3wlaA:
undetectable		 5wwsB-3wlaA:
21.52
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 CYH A  24
ALA A 217
GLY A  93
ILE A 350
ASP A 215
 None
 1.11A 5wwsB-3wxyA:
undetectable		 5wwsB-3wxyA:
20.23
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 287
ILE A 192
ASP A 205
GLY A 204
ASP A 188
 None
 1.24A 5wwsB-3x1bA:
undetectable		 5wwsB-3x1bA:
21.82
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.
4apm APICAL MEMBRANE
ANTIGEN 1

(Babesia
divergens) 		PF02430
(AMA-1) 		5 PRO A 438
LYS A 310
ASP A 311
GLY A 428
ASP A 335
 None
None
None
None
GOL  A1517 (-2.4A)
 1.10A 5wwsB-4apmA:
undetectable		 5wwsB-4apmA:
22.67
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 PRO A 222
ASP A 240
ASP A 260
GLY A 261
ASP A 277
 None
EDO  A1373 (-3.1A)
None
None
None
 0.98A 5wwsB-4aukA:
9.5		 5wwsB-4aukA:
23.14
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 ALA A 919
GLY A 924
LYS A 925
ASP A 911
GLY A 912
 None
 1.25A 5wwsB-4azcA:
undetectable		 5wwsB-4azcA:
21.43
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.
4dt4 FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 PRO A  74
GLY A 131
ASP A 124
ILE A  79
GLY A  96
 None
 1.23A 5wwsB-4dt4A:
undetectable		 5wwsB-4dt4A:
15.82
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 ALA A 146
PRO A 147
LYS A 153
ILE A 154
ASP A   7
 None
None
None
None
CA  A 403 (-2.7A)
 1.25A 5wwsB-4f4wA:
undetectable		 5wwsB-4f4wA:
24.74
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		5 ALA A 289
PRO A 290
GLY A 236
ASP A 263
GLY A 264
 None
 1.18A 5wwsB-4fioA:
undetectable		 5wwsB-4fioA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 CYH A 187
ALA A 179
GLY A 139
ILE A 265
GLY A 189
 None
 1.07A 5wwsB-4ft2A:
8.4		 5wwsB-4ft2A:
20.25
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		9 CYH A 181
ALA A 183
PRO A 185
GLY A 186
LYS A 187
ASP A 204
ASP A 237
GLY A 238
ASP A 255
 SAM  A 401 (-3.9A)
SAM  A 401 (-4.1A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-2.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.42A 5wwsB-4fzvA:
26.8		 5wwsB-4fzvA:
25.51
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		5 PRO A 298
GLY A 296
ILE A 345
GLY A 290
ASP A 294
 None
 1.10A 5wwsB-4hl7A:
undetectable		 5wwsB-4hl7A:
25.05
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		6 PRO A 125
GLY A  36
ASP A   6
ILE A 129
GLY A  30
ASP A  13
 None
None
None
None
None
CA  A 401 (-2.2A)
 1.34A 5wwsB-4kpoA:
3.1		 5wwsB-4kpoA:
20.95
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 PRO A 281
GLY A 284
ASP A 334
GLY A 338
ASP A 205
 None
 1.24A 5wwsB-4maeA:
undetectable		 5wwsB-4maeA:
21.88
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 CYH A 277
PRO A 280
GLY A 282
ASP A 335
ASP A 364
 SAM  A 601 (-3.7A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
 0.64A 5wwsB-4n49A:
9.8		 5wwsB-4n49A:
24.04
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ALA A 156
PRO A 155
GLY A 191
GLY A 117
ASP A 162
 None
 0.95A 5wwsB-4pdxA:
undetectable		 5wwsB-4pdxA:
22.57
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ALA A 182
GLY A 156
ASP A 292
ILE A 296
GLY A 451
 None
 1.20A 5wwsB-4pf1A:
undetectable		 5wwsB-4pf1A:
22.08
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ALA A 256
GLY A 310
ASP A 226
ILE A 225
ASP A 293
 None
 1.04A 5wwsB-4pmhA:
undetectable		 5wwsB-4pmhA:
22.65
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 161
PRO A 162
GLY A 223
ILE A 167
ASP A 172
 None
 1.27A 5wwsB-4s17A:
undetectable		 5wwsB-4s17A:
22.00
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLY A 116
LYS A 117
ASP A  94
ASP A 317
ASP A  76
 None
None
None
ZN  A 501 (-2.8A)
None
 1.13A 5wwsB-4tqtA:
undetectable		 5wwsB-4tqtA:
21.44
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.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 PRO A 311
GLY A 313
ILE A 307
GLY A 292
ASP A 271
 None
 1.21A 5wwsB-4yzoA:
undetectable		 5wwsB-4yzoA:
22.97
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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 ALA A  83
GLY A  49
ASP A 323
GLY A 324
ASP A 100
 None
 1.09A 5wwsB-5cfaA:
undetectable		 5wwsB-5cfaA:
21.09
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.
5che GLUTAMYL-TRNA
REDUCTASE-BINDING
PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF10615
(DUF2470) 		5 ALA C  62
PRO C  61
LYS C 193
ASP C  98
GLY C  99
 None
 1.27A 5wwsB-5cheC:
undetectable		 5wwsB-5cheC:
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.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 361
GLY A 359
ASP A 379
ILE A 363
GLY A 399
 None
 1.26A 5wwsB-5cvoA:
undetectable		 5wwsB-5cvoA:
19.24
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ALA A 248
GLY A 191
ILE A  96
ASP A  72
GLY A  70
 None
 1.10A 5wwsB-5dmxA:
undetectable		 5wwsB-5dmxA:
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.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 PRO A  17
GLY A  19
ILE A   6
GLY A  12
ASP A  35
 None
GOL  A 201 (-3.3A)
None
None
GOL  A 201 (-3.6A)
 1.27A 5wwsB-5duyA:
undetectable		 5wwsB-5duyA:
14.91
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.
5gwn PROTEIN RCC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A 386
GLY A 383
ILE A 389
GLY A 363
ASP A 380
 None
 0.96A 5wwsB-5gwnA:
undetectable		 5wwsB-5gwnA:
21.83
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.
5hj2 INTEGRIN ALPHA-2

(Homo sapiens) 		no annotation 5 GLY C  40
LYS C  43
LYS C  32
GLY C 190
ASP C  38
 None
 1.11A 5wwsB-5hj2C:
undetectable		 5wwsB-5hj2C:
17.83
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		5 ALA A 145
PRO A 144
ASP A 197
ASP A 192
ASP A 177
 None
None
None
None
6KY  A 504 (-2.6A)
 1.24A 5wwsB-5jh8A:
undetectable		 5wwsB-5jh8A:
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B

(Bacteroides
ovatus) 		PF04616
(Glyco_hydro_43) 		5 ALA A 295
PRO A 296
GLY A 308
ILE A  31
GLY A 277
 None
 1.26A 5wwsB-5jozA:
undetectable		 5wwsB-5jozA:
22.20
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.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 280
GLY A 276
ILE A 191
GLY A 258
ASP A 291
 None
 1.24A 5wwsB-5mewA:
undetectable		 5wwsB-5mewA:
22.48
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 5 ALA A 262
GLY A 351
ILE A 243
ASP A 312
GLY A 247
 None
 1.24A 5wwsB-5mktA:
undetectable		 5wwsB-5mktA:
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 5 ALA A 112
GLY A  30
LYS A  31
GLY A 153
ASP A 114
 None
 1.12A 5wwsB-5o5dA:
undetectable		 5wwsB-5o5dA:
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE

(Trichormus
variabilis) 		PF01761
(DHQ_synthase) 		5 ALA A 203
LYS A 249
ILE A 316
ASP A 294
GLY A 270
 None
 1.16A 5wwsB-5tprA:
undetectable		 5wwsB-5tprA:
22.31
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.
5u2i NUCLEOSIDE
DIPHOSPHATE KINASE

(Naegleria
fowleri) 		PF00334
(NDK) 		5 ALA A  86
GLY A  81
ILE A 116
ASP A 106
GLY A 101
 None
 1.22A 5wwsB-5u2iA:
undetectable		 5wwsB-5u2iA:
16.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		12 CYH A 242
ALA A 244
PRO A 245
GLY A 247
LYS A 248
ASP A 266
LYS A 267
ILE A 268
LYS A 271
ASP A 293
GLY A 294
ASP A 323
 None
None
C  C  72 ( 4.7A)
None
C  C  72 ( 3.1A)
None
G  C   3 ( 3.5A)
C  C  69 ( 3.9A)
C  C  70 ( 3.9A)
None
None
C  C  72 ( 2.8A)
 0.18A 5wwsB-5wwtA:
65.0		 5wwsB-5wwtA:
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.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ALA B 247
GLY B  92
ILE B 262
ASP B 192
ASP B 165
 None
None
None
None
FAD  B 401 (-3.5A)
 1.25A 5wwsB-5y6qB:
undetectable		 5wwsB-5y6qB:
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.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC

(Bacillus
anthracis) 		PF01497
(Peripla_BP_2) 		5 ALA A  52
PRO A  51
GLY A 166
LYS A 167
ASP A 116
 None
 1.27A 5wwsB-6allA:
undetectable		 5wwsB-6allA:
22.20
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 5 GLY A 172
ILE A 241
LYS A 193
ASP A 234
GLY A 237
 3NG  A 501 ( 4.5A)
None
3NG  A 501 (-3.0A)
None
None
 1.04A 5wwsB-6fylA:
undetectable		 5wwsB-6fylA:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 5 GLY A 170
ILE A 239
LYS A 191
ASP A 232
GLY A 235
 3NG  A 501 ( 4.9A)
None
3NG  A 501 (-2.7A)
None
None
 1.12A 5wwsB-6fyvA:
undetectable		 5wwsB-6fyvA:
undetectable