SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOP_B_C2FB3001_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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		5 ASN A  45
ASP A  43
LEU A 122
GLY A 196
ILE A 227
 None
 1.10A 5vopB-1f6yA:
29.3		 5vopB-1f6yA:
30.00
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		8 GLU A   6
ASN A   9
ASP A  43
LEU A 122
GLY A 196
SER A 198
ARG A 207
ILE A 227
 None
 0.65A 5vopB-1f6yA:
29.3		 5vopB-1f6yA:
30.00
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 239
GLY A 216
VAL A 200
GLY A 192
ILE A 193
 GAP  A1550 ( 2.2A)
None
None
None
None
 1.03A 5vopB-1ggmA:
undetectable		 5vopB-1ggmA:
24.05
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 GLU A 516
GLY A 514
VAL A 171
GLY A 184
ASN A 167
 None
 1.00A 5vopB-1gq1A:
undetectable		 5vopB-1gq1A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		5 GLU A  14
GLY A  55
VAL A  38
SER A  12
ILE A  27
 OSS  A 132 (-3.5A)
None
None
None
OSS  A 132 ( 4.2A)
 1.15A 5vopB-1htpA:
undetectable		 5vopB-1htpA:
18.39
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLU A 301
LYS A 353
GLY A 260
SER A 311
ILE A 285
 None
 1.17A 5vopB-1kb0A:
undetectable		 5vopB-1kb0A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 239
LYS A 236
ASP A 300
GLY A 306
SER A 259
 None
 1.15A 5vopB-1lrwA:
undetectable		 5vopB-1lrwA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A  42
GLY A  51
VAL A  64
GLY A  58
SER A  54
 None
 1.12A 5vopB-1r2jA:
undetectable		 5vopB-1r2jA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 GLY A 244
ASP A 455
GLY A 117
ASN A  37
ILE A 122
 None
None
None
SO4  A1003 ( 4.6A)
None
 0.85A 5vopB-1u2xA:
2.9		 5vopB-1u2xA:
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		5 GLU C 737
GLY C 740
LEU C 770
GLY C 732
ILE C 734
 None
 1.12A 5vopB-1u6gC:
undetectable		 5vopB-1u6gC:
12.99
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 ASN A 374
GLY A 408
VAL A 202
LEU A 203
GLY A 464
 None
 1.17A 5vopB-1v02A:
3.1		 5vopB-1v02A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 GLU A 208
GLY A 207
VAL A 271
LEU A 272
ILE A 210
 None
 1.17A 5vopB-1w8oA:
undetectable		 5vopB-1w8oA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 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 153
VAL A 112
LEU A 105
GLY A  38
ARG A 173
 FAD  A 999 (-3.3A)
None
None
None
None
 1.13A 5vopB-1xdiA:
undetectable		 5vopB-1xdiA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 ASN A 233
GLY A 234
ASP A 417
LEU A 338
ILE A 416
 None
 1.15A 5vopB-2aafA:
undetectable		 5vopB-2aafA:
22.64
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.05A 5vopB-2g39A:
undetectable		 5vopB-2g39A:
23.25
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 GLY A 164
VAL A 112
LEU A 116
SER A 403
ILE A 401
 FAD  A 501 (-3.3A)
None
None
None
FAD  A 501 (-3.6A)
 1.16A 5vopB-2i0zA:
undetectable		 5vopB-2i0zA:
20.31
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.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A  92
VAL A 288
LEU A  35
GLY A 248
SER A 180
 None
 1.11A 5vopB-2i5gA:
6.3		 5vopB-2i5gA:
24.09
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A 638
ASP A 620
ASN A 209
ARG A 206
ILE A 619
 None
None
None
MGD  A 812 (-3.9A)
None
 1.17A 5vopB-2jirA:
undetectable		 5vopB-2jirA:
18.37
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 GLU A  34
ASN A  35
GLY A  75
VAL A 234
ASN A 171
 ACT  A 306 (-2.7A)
None
None
None
ACT  A 306 (-3.3A)
 1.18A 5vopB-2p4oA:
undetectable		 5vopB-2p4oA:
22.66
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A   5
LEU A  74
GLY A 228
SER A 226
ILE A  12
 None
 1.19A 5vopB-2pwzA:
2.5		 5vopB-2pwzA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 ASN A 222
GLY A 250
VAL A 210
GLY A 195
ILE A 228
 None
 1.11A 5vopB-2vunA:
5.3		 5vopB-2vunA:
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 GLY F  87
ASP F  83
GLY F 144
ASN F 142
ILE F 145
 None
 1.10A 5vopB-2xwbF:
undetectable		 5vopB-2xwbF:
17.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ASN A  10
ASP A  76
LEU A 123
GLY A 197
ASN A 200
ARG A 208
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 1.41A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		7 ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
ARG A 208
ILE A 228
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.82A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ASN A 200
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 1.09A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		9 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.50A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
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.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		5 GLU A  43
GLY A 118
ASP A  44
GLY A  65
SER A  68
 None
 1.15A 5vopB-2yjvA:
undetectable		 5vopB-2yjvA:
21.64
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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 GLY A 208
VAL A  50
LEU A  10
GLY A  20
ILE A  19
 None
 1.12A 5vopB-2yv5A:
2.2		 5vopB-2yv5A:
23.24
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 365
LEU A 260
GLY A 299
ASN A 329
ILE A 302
 None
HC4  A 400 ( 4.4A)
None
HC4  A 400 (-4.0A)
None
 1.13A 5vopB-3a5rA:
undetectable		 5vopB-3a5rA:
22.22
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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A 186
LEU A 219
GLY A 212
SER A 210
ILE A 208
 None
 1.12A 5vopB-3au9A:
undetectable		 5vopB-3au9A:
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 320
ASN A 323
ASP A 358
LEU A 437
GLY A 505
SER A 507
ILE A 536
 None
 0.60A 5vopB-3bolA:
22.5		 5vopB-3bolA:
19.93
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.
3c2q UNCHARACTERIZED
CONSERVED PROTEIN

(Methanococcus
maripaludis) 		no annotation 5 GLY A 240
ASP A 247
LEU A 401
ARG A 318
ILE A 217
 None
 1.18A 5vopB-3c2qA:
undetectable		 5vopB-3c2qA:
20.27
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.
3d7l LIN1944 PROTEIN

(Listeria
innocua) 		PF13561
(adh_short_C2) 		5 GLY A 122
VAL A 174
LEU A 157
GLY A 112
ILE A 113
 None
 1.11A 5vopB-3d7lA:
2.1		 5vopB-3d7lA:
25.33
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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLU A 172
ASP A 168
GLY A 187
ARG A 179
ILE A 186
 CA  A 303 (-2.8A)
None
None
None
None
 1.03A 5vopB-3dbkA:
undetectable		 5vopB-3dbkA:
19.06
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		5 GLY A   9
ASP A  31
LEU A 294
GLY A 288
SER A 284
 None
 1.09A 5vopB-3ebvA:
4.4		 5vopB-3ebvA:
23.64
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.
3eoz PUTATIVE
PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		5 GLY A 183
VAL A  69
LEU A  64
GLY A  57
ILE A  87
 None
 1.06A 5vopB-3eozA:
undetectable		 5vopB-3eozA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f7m ALKALINE SERINE
PROTEASE VER112

(Lecanicillium
psalliotae) 		PF00082
(Peptidase_S8) 		5 GLY A 309
LEU A 237
GLY A 264
SER A 297
ASN A 265
 None
 1.16A 5vopB-3f7mA:
undetectable		 5vopB-3f7mA:
20.91
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 164
ASP A 159
VAL A 110
GLY A 290
ILE A 291
 None
 1.14A 5vopB-3gfbA:
2.1		 5vopB-3gfbA:
24.41
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.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 ASN A 264
GLY A 141
VAL A 203
LEU A 195
GLY A 254
 None
None
None
SAM  A 270 (-4.1A)
None
 1.06A 5vopB-3gyqA:
undetectable		 5vopB-3gyqA:
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.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ASN A 298
GLY A 299
ASP A 287
LEU A 138
GLY A 131
 PO4  A 509 (-3.6A)
None
PO4  A 509 ( 4.4A)
None
None
 1.10A 5vopB-3ifrA:
2.3		 5vopB-3ifrA:
23.96
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 GLU A 210
VAL A 245
LEU A 227
GLY A 212
ILE A 211
 None
 1.11A 5vopB-3iuuA:
undetectable		 5vopB-3iuuA:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		6 ASN A 361
GLY A 364
ASP A 431
VAL A 478
GLY A 558
ASN A 561
 GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 (-3.3A)
None
THH  A 642 (-3.3A)
THH  A 642 ( 3.3A)
 1.46A 5vopB-3k13A:
39.0		 5vopB-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		6 ASN A 398
ASP A 396
VAL A 478
GLY A 558
ASN A 561
ILE A 593
 None
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
THH  A 642 ( 3.3A)
THH  A 642 (-4.2A)
 1.09A 5vopB-3k13A:
39.0		 5vopB-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		10 GLU A 358
ASN A 361
GLY A 364
ASP A 396
VAL A 478
GLY A 558
SER A 560
ASN A 561
ARG A 573
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
THH  A 642 (-4.2A)
 0.31A 5vopB-3k13A:
39.0		 5vopB-3k13A:
34.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A  16
VAL A 269
GLY A 284
ARG A  50
ILE A 283
 FAD  A 416 (-3.3A)
None
FAD  A 416 (-3.2A)
FAD  A 416 (-3.0A)
None
 1.14A 5vopB-3lxdA:
undetectable		 5vopB-3lxdA:
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 ASN A 275
GLY A 274
ASP A 277
GLY A 315
ILE A 316
 None
 1.07A 5vopB-3p24A:
undetectable		 5vopB-3p24A:
21.64
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.
3pe5 UNCHARACTERIZED
PROTEIN

([Clostridium]
leptum) 		PF03816
(LytR_cpsA_psr) 		5 GLU A 303
GLY A 306
VAL A 295
LEU A 292
ILE A 299
 None
 1.18A 5vopB-3pe5A:
undetectable		 5vopB-3pe5A:
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		6 GLY A 118
LEU A  23
GLY A  63
SER A  68
ASN A 111
ILE A  26
 None
 1.45A 5vopB-3r0oA:
undetectable		 5vopB-3r0oA:
24.05
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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		5 ASN A 413
VAL A 467
GLY A 409
SER A 376
ILE A 410
 None
 1.16A 5vopB-3riqA:
undetectable		 5vopB-3riqA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 GLY A 959
LEU A 854
GLY A 893
ASN A 923
ILE A 896
 None
 1.08A 5vopB-3tsyA:
undetectable		 5vopB-3tsyA:
14.65
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.19A 5vopB-3v4vB:
2.8		 5vopB-3v4vB:
20.94
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.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		5 GLU A 227
GLY A 196
VAL A 241
GLY A 229
ILE A 228
 None
 1.12A 5vopB-3vnkA:
3.7		 5vopB-3vnkA:
22.66
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.
3zf8 MANNAN POLYMERASE
COMPLEXES SUBUNIT
MNN9

(Saccharomyces
cerevisiae) 		PF03452
(Anp1) 		5 GLU A 364
VAL A 379
LEU A 333
GLY A 337
ARG A 209
 None
None
None
None
GDP  A1395 (-3.6A)
 1.18A 5vopB-3zf8A:
undetectable		 5vopB-3zf8A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 GLY A 241
ASP A 451
GLY A 119
ASN A  40
ILE A 124
 None
GLC  A 468 (-2.9A)
GLC  A 468 (-3.5A)
GLC  A 468 ( 4.1A)
None
 0.81A 5vopB-4b8sA:
2.8		 5vopB-4b8sA:
22.22
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 ASN A 379
GLY A 382
ASP A 449
VAL A 496
GLY A 576
ASN A 579
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
None
THG  A1652 (-3.6A)
THG  A1652 (-3.1A)
 1.36A 5vopB-4cczA:
38.6		 5vopB-4cczA:
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 416
ASP A 414
VAL A 496
GLY A 576
ILE A 611
 None
None
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
 1.14A 5vopB-4cczA:
38.6		 5vopB-4cczA:
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		10 GLU A 376
ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
SER A 578
ASN A 579
ARG A 591
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
None
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
THG  A1652 (-4.2A)
 0.42A 5vopB-4cczA:
38.6		 5vopB-4cczA:
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 GLY C 226
LEU C  68
GLY C  98
ARG C 110
ILE C  42
 None
 1.15A 5vopB-4ci0C:
undetectable		 5vopB-4ci0C:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 216
LEU A 257
GLY A 212
ASN A 200
ILE A 213
 None
 1.12A 5vopB-4drtA:
undetectable		 5vopB-4drtA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 109
VAL A  89
LEU A  90
GLY A  15
ILE A  40
 None
 1.17A 5vopB-4e6eA:
2.8		 5vopB-4e6eA:
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.
4ifd EXOSOME COMPLEX
COMPONENT RRP43

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		5 GLU C 339
GLY C 224
GLY C 298
ARG C  44
ILE C 343
 None
 1.15A 5vopB-4ifdC:
undetectable		 5vopB-4ifdC:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 GLU A 208
GLY A 207
VAL A 271
LEU A 272
ILE A 210
 None
 1.15A 5vopB-4j9tA:
undetectable		 5vopB-4j9tA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 GLY A 149
LEU A 109
GLY A  58
SER A  60
ILE A  57
 None
 1.00A 5vopB-4jerA:
undetectable		 5vopB-4jerA:
20.74
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 5 GLY A 610
LEU A 561
GLY A 553
SER A 340
ASN A 350
 None
 1.01A 5vopB-4jzaA:
undetectable		 5vopB-4jzaA:
17.99
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.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 GLU B 212
GLY B 213
LEU B 165
GLY B 206
SER B 114
 CA  B 705 ( 3.2A)
None
None
None
MG  B 707 (-2.1A)
 1.18A 5vopB-4nenB:
undetectable		 5vopB-4nenB:
19.04
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLY A 482
ASP A 523
LEU A 560
GLY A 527
ILE A 525
 None
 1.18A 5vopB-4nsxA:
undetectable		 5vopB-4nsxA:
19.05
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASN A  10
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 1.14A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.71A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.17A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
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.
4ovq TRAP DICARBOXYLATE
ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLU A  84
ASN A 240
GLY A  81
GLY A  29
ILE A  85
 None
 1.13A 5vopB-4ovqA:
undetectable		 5vopB-4ovqA:
22.74
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 GLY A 154
VAL A 139
LEU A 259
GLY A 132
ILE A 168
 None
 0.90A 5vopB-4rxmA:
undetectable		 5vopB-4rxmA:
23.91
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.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica) 		PF08543
(Phos_pyr_kin) 		5 GLY B 215
LEU B 109
GLY B  82
SER B  10
ILE B 113
 None
None
None
PLP  B 302 (-2.4A)
PLP  B 302 ( 4.7A)
 1.16A 5vopB-4s1iB:
2.2		 5vopB-4s1iB:
19.68
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.
4wfc EXOSOME COMPLEX
EXONUCLEASE RRP6
EXOSOME COMPLEX
PROTEIN LRP1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF08066
(PMC2NT)
PF04000
(Sas10_Utp3) 		5 GLY A  82
VAL B  70
LEU B  68
SER B  58
ILE B  76
 None
 1.18A 5vopB-4wfcA:
undetectable		 5vopB-4wfcA:
16.90
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.
4wum CHALCONE SYNTHASE

(Freesia hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 372
LEU A 267
GLY A 306
ASN A 336
ILE A 309
 None
 1.17A 5vopB-4wumA:
undetectable		 5vopB-4wumA:
24.57
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1

(Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C) 		5 ASN A 718
ASP A 687
VAL A 697
GLY A 634
ASN A 633
 None
 1.19A 5vopB-4xgcA:
2.2		 5vopB-4xgcA:
24.05
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.
4yh2 GLUTATHIONE S
TRANSFERASE E6

(Drosophila
melanogaster) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 GLU A 193
ASN A 202
GLY A 203
VAL A 142
ILE A 189
 None
 1.02A 5vopB-4yh2A:
undetectable		 5vopB-4yh2A:
23.26
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I, RESTRICTION
SUBUNIT

(Escherichia
coli) 		PF04851
(ResIII) 		5 GLY C 122
LYS C 120
VAL C 540
LEU C 489
SER C 129
 AMP  C1001 (-3.7A)
None
None
None
None
 1.16A 5vopB-4zcfC:
undetectable		 5vopB-4zcfC:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 ASN A 357
GLY A 354
LEU A 404
GLY A 376
ILE A 372
 None
 1.19A 5vopB-5bxpA:
6.1		 5vopB-5bxpA:
19.78
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.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLU B 212
GLY B 213
LEU B 165
GLY B 206
SER B 114
 None
 1.12A 5vopB-5e6sB:
undetectable		 5vopB-5e6sB:
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.
5f7r LMO0178 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 GLY E 311
VAL E 215
LEU E 221
GLY E 318
ILE E 350
 None
 1.17A 5vopB-5f7rE:
3.0		 5vopB-5f7rE:
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 GLY B 166
LYS B 142
LEU B 237
GLY B 186
ILE B 185
 None
 1.10A 5vopB-5hz1B:
undetectable		 5vopB-5hz1B:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 GLU A 480
VAL A 532
LEU A 461
SER A 427
ARG A 413
 None
 1.02A 5vopB-5j7xA:
undetectable		 5vopB-5j7xA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 GLU A 271
GLY A 140
VAL A 236
GLY A 260
ASN A 225
 None
 1.16A 5vopB-5kdxA:
undetectable		 5vopB-5kdxA:
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 GLY A 233
ASP A 442
GLY A 106
ASN A  26
ILE A 111
 None
GLC  A 501 ( 2.6A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.8A)
None
 0.83A 5vopB-5od2A:
2.7		 5vopB-5od2A:
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 VAL A 239
LEU A 243
GLY A 253
SER A 277
ILE A 257
 None
 1.07A 5vopB-5oe5A:
undetectable		 5vopB-5oe5A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 GLY A 206
ASP A 254
VAL A 266
LEU A 231
GLY A 214
 None
 1.04A 5vopB-5t6oA:
undetectable		 5vopB-5t6oA:
21.94
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 GLY A 188
GLY A 150
SER A 147
ARG A 165
ILE A 151
 None
 1.08A 5vopB-5tiiA:
2.8		 5vopB-5tiiA:
25.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 5 GLU A 143
GLY A 141
ASP A 144
LEU A 112
GLY A 137
 None
SO4  A 505 ( 4.8A)
None
None
None
 1.08A 5vopB-5tnuA:
undetectable		 5vopB-5tnuA:
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 234
LEU A 275
GLY A 230
ASN A 218
ILE A 231
 None
 1.10A 5vopB-5tr7A:
undetectable		 5vopB-5tr7A:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7z ACID CERAMIDASE
ACID CERAMIDASE

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 GLU A 115
GLY A 118
VAL B 187
LEU B 185
ASN A 134
 None
 1.18A 5vopB-5u7zA:
undetectable		 5vopB-5u7zA:
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 GLY A 398
ASP A 159
GLY A 128
ASN A 404
ILE A 160
 None
 1.14A 5vopB-5uj6A:
6.6		 5vopB-5uj6A:
16.90
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.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 GLU B2569
GLY B2571
LEU B2589
GLY B2551
ILE B2552
 None
 1.04A 5vopB-5v4bB:
undetectable		 5vopB-5v4bB:
20.92
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 GLY A 509
VAL A 418
LEU A 416
GLY A 247
ILE A 468
 None
 0.93A 5vopB-5vj1A:
2.4		 5vopB-5vj1A:
22.44
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 7 ASN A 376
GLY A 379
LYS A 381
ASP A 443
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.45A 5vopB-5vopA:
46.9		 5vopB-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 12 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.48A 5vopB-5vopA:
46.9		 5vopB-5vopA:
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLU B 108
GLY B  98
VAL B 116
GLY B  93
SER B  95
 None
GDP  B 501 (-4.4A)
None
None
None
 1.17A 5vopB-5w3jB:
undetectable		 5vopB-5w3jB:
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.
5z3r STEROID
DELTA-ISOMERASE

(Mycolicibacterium
neoaurum) 		no annotation 5 ASN A  52
GLY A  57
VAL A 111
LEU A  99
GLY A 130
 None
 1.18A 5vopB-5z3rA:
undetectable		 5vopB-5z3rA:
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.
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1

(Homo sapiens) 		no annotation 5 GLY A 222
VAL A 272
LEU A 356
GLY A 360
SER A 255
 None
DL1  A 601 ( 4.8A)
None
None
None
 1.17A 5vopB-6bfnA:
undetectable		 5vopB-6bfnA:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 6 GLY A 242
ASP A 471
GLY A 114
SER A  33
ASN A  34
ILE A 119
 None
ADP  A 501 (-3.6A)
None
None
None
None
 0.89A 5vopB-6c8zA:
undetectable		 5vopB-6c8zA:
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.
6gun -

(-) 		no annotation 5 GLY A 104
ASP A  57
LEU A 151
GLY A 158
SER A 181
 None
 1.07A 5vopB-6gunA:
undetectable		 5vopB-6gunA:
undetectable