SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOO_D_C2FD3001

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
 1.03A 5vooD-1f6yA:
29.3		 5vooD-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) 		7 GLU A   6
ASN A   9
ASP A  43
LEU A 122
GLY A 196
SER A 198
ILE A 227
 None
 0.53A 5vooD-1f6yA:
29.3		 5vooD-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.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 GLY A1069
VAL A1119
LEU A1020
GLY A1091
ILE A1092
 None
 1.12A 5vooD-1g5uA:
undetectable		 5vooD-1g5uA:
17.53
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 GLY A  61
LYS A 117
VAL A 267
LEU A 271
GLY A 286
 None
 1.15A 5vooD-1ituA:
5.4		 5vooD-1ituA:
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.
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
 1.13A 5vooD-1kb0A:
undetectable		 5vooD-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.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 MET A 175
VAL A  48
LEU A  94
GLY A 140
SER A 139
ILE A 153
 None
 1.49A 5vooD-1ns3A:
undetectable		 5vooD-1ns3A:
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.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 MET A 175
VAL A  48
LEU A  94
GLY A 141
SER A 139
ILE A 153
 None
 1.46A 5vooD-1ns3A:
undetectable		 5vooD-1ns3A:
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 5 ASN A 174
GLY A  94
LEU A 119
GLY A 149
SER A 148
 URA  A1282 (-3.0A)
URA  A1282 (-3.6A)
None
None
URA  A1282 ( 4.4A)
 1.10A 5vooD-1oe5A:
undetectable		 5vooD-1oe5A:
23.97
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.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 5 VAL A 275
LEU A 220
GLY A 247
PHE A 227
ILE A 248
 None
 1.15A 5vooD-1oe5A:
undetectable		 5vooD-1oe5A:
23.97
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 VAL A 260
LEU A 306
GLY A 303
PHE A 285
ILE A 189
 None
 1.10A 5vooD-1snzA:
undetectable		 5vooD-1snzA:
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.
1wni TRIMERELYSIN II

(Protobothrops
flavoviridis) 		PF01421
(Reprolysin) 		5 GLU A   9
ASN A  92
MET A 116
SER A  52
ILE A   8
 None
 1.13A 5vooD-1wniA:
undetectable		 5vooD-1wniA:
19.00
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.
1xco PHOSPHATE
ACETYLTRANSFERASE

(Bacillus
subtilis) 		PF01515
(PTA_PTB) 		5 GLU A  52
ASN A  51
VAL A  67
GLY A  48
ILE A  53
 None
 1.13A 5vooD-1xcoA:
3.3		 5vooD-1xcoA:
24.38
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 ASN A  60
LEU A 258
GLY A  97
PHE A  56
ILE A 227
 None
 1.09A 5vooD-1xvyA:
undetectable		 5vooD-1xvyA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 GLY A 255
LYS A 259
LEU A 238
GLY A 230
PHE A 215
 None
 1.08A 5vooD-1ym5A:
undetectable		 5vooD-1ym5A:
22.19
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.
1ztm FUSION GLYCOPROTEIN

(Human
respirovirus 3) 		PF00523
(Fusion_gly) 		5 GLY A 225
VAL A 269
LEU A  86
GLY A 219
ILE A 218
 None
 1.17A 5vooD-1ztmA:
undetectable		 5vooD-1ztmA:
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 ASN A 233
GLY A 234
ASP A 417
LEU A 338
ILE A 416
 None
 1.17A 5vooD-2aafA:
undetectable		 5vooD-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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		6 GLY A 197
VAL A 213
LEU A 215
GLY A  39
SER A  42
ILE A 202
 None
None
None
None
FAD  A1385 ( 3.8A)
None
 1.29A 5vooD-2bi7A:
undetectable		 5vooD-2bi7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 197
VAL A 213
LEU A 215
GLY A  40
SER A  42
 None
None
None
FAD  A1385 (-3.1A)
FAD  A1385 ( 3.8A)
 1.18A 5vooD-2bi7A:
undetectable		 5vooD-2bi7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.12A 5vooD-2g39A:
undetectable		 5vooD-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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 249
LYS A  33
VAL A 356
LEU A 394
SER A 433
 None
 1.18A 5vooD-2glfA:
undetectable		 5vooD-2glfA:
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.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A  92
VAL A 288
LEU A  35
GLY A 248
SER A 180
 None
 1.14A 5vooD-2i5gA:
5.0		 5vooD-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.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 GLU A 292
ASN A 291
GLY A 288
GLY A 296
PHE A 174
ILE A 295
 None
COS  A1434 (-3.0A)
None
None
None
None
 1.22A 5vooD-2jifA:
undetectable		 5vooD-2jifA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		5 GLY A  52
VAL A  67
GLY A  82
PHE A 225
ILE A  42
 None
 1.13A 5vooD-2or0A:
undetectable		 5vooD-2or0A:
23.99
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ASN A  59
GLY A  63
GLY A  29
SER A  19
ILE A  28
 None
None
CA  A7001 ( 4.6A)
None
None
 1.12A 5vooD-2pwhA:
10.4		 5vooD-2pwhA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLU A 282
MET A 132
VAL A 106
GLY A 284
ILE A 283
 None
 1.16A 5vooD-2qvbA:
undetectable		 5vooD-2qvbA:
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 139
GLY A 150
VAL A  35
LEU A  23
GLY A  67
 None
 1.11A 5vooD-2wtbA:
undetectable		 5vooD-2wtbA:
19.80
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.16A 5vooD-2x58A:
undetectable		 5vooD-2x58A:
18.37
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) 		5 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.04A 5vooD-2ycjA:
29.9		 5vooD-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) 		8 GLU A   7
ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 0.89A 5vooD-2ycjA:
29.9		 5vooD-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
 1.16A 5vooD-2yjvA:
undetectable		 5vooD-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.
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
 1.10A 5vooD-3au9A:
undetectable		 5vooD-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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 GLY A 474
MET A 508
VAL A 428
GLY A 484
ILE A 483
 None
 1.13A 5vooD-3av6A:
undetectable		 5vooD-3av6A:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 360
ASP A 358
LEU A 437
GLY A 505
ILE A 536
 None
 1.15A 5vooD-3bolA:
22.5		 5vooD-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.
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
 0.70A 5vooD-3bolA:
22.5		 5vooD-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.
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
 1.15A 5vooD-3ebvA:
9.5		 5vooD-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
 1.05A 5vooD-3eozA:
undetectable		 5vooD-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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A  73
GLY A  77
GLY A  43
SER A  33
ILE A  42
 None
 1.17A 5vooD-3gbdA:
10.2		 5vooD-3gbdA:
18.47
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.
3gqs ADENYLATE
CYCLASE-LIKE PROTEIN

(Chlamydia
trachomatis) 		PF16697
(Yop-YscD_cpl) 		5 GLY A  70
VAL A   9
LEU A   7
GLY A  30
ILE A  45
 None
 1.10A 5vooD-3gqsA:
undetectable		 5vooD-3gqsA:
16.27
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 GLU A 468
LEU A 535
SER A 548
PHE A 552
ILE A 472
 None
 1.11A 5vooD-3hjeA:
7.1		 5vooD-3hjeA:
17.50
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.
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
 1.14A 5vooD-3ifrA:
undetectable		 5vooD-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
 1.12A 5vooD-3iuuA:
2.4		 5vooD-3iuuA:
23.80
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.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Methanocaldococcus
jannaschii) 		PF06026
(Rib_5-P_isom_A) 		5 GLU A 138
GLY A 175
GLY A 101
PHE A  57
ILE A 178
 None
None
CL  A 231 (-4.4A)
None
None
 1.12A 5vooD-3ixqA:
2.2		 5vooD-3ixqA:
23.10
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) 		7 ASN A 361
MET A 429
VAL A 478
GLY A 558
SER A 560
PHE A 564
ILE A 593
 GOL  A 643 (-3.1A)
None
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
None
THH  A 642 (-4.2A)
 0.73A 5vooD-3k13A:
38.4		 5vooD-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) 		5 ASN A 398
ASP A 396
MET A 429
GLY A 558
ILE A 593
 None
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
THH  A 642 (-4.2A)
 0.97A 5vooD-3k13A:
38.4		 5vooD-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) 		5 ASP A 396
MET A 429
VAL A 478
GLY A 592
ILE A 356
 THH  A 642 ( 4.7A)
None
None
None
None
 1.15A 5vooD-3k13A:
38.4		 5vooD-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) 		9 GLU A 358
ASN A 361
GLY A 364
ASP A 396
MET A 429
VAL A 478
GLY A 558
SER A 560
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 ( 4.7A)
None
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 (-4.2A)
 0.35A 5vooD-3k13A:
38.4		 5vooD-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.
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
 1.06A 5vooD-3p24A:
undetectable		 5vooD-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.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 119
LEU A 103
GLY A 128
SER A 122
ILE A 129
 None
 1.10A 5vooD-3pqvA:
undetectable		 5vooD-3pqvA:
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 302
VAL A 122
LEU A 126
GLY A 280
ILE A 108
 None
 1.15A 5vooD-3sjnA:
7.2		 5vooD-3sjnA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.09A 5vooD-3v4vB:
2.8		 5vooD-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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 233
LYS A 230
ASP A 294
GLY A 300
SER A 253
 None
 1.16A 5vooD-4aahA:
undetectable		 5vooD-4aahA:
20.54
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A  93
ASP A 401
LEU A 385
GLY A 392
PHE A 373
 None
 1.13A 5vooD-4b90A:
8.3		 5vooD-4b90A:
19.87
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A  93
ASP A 401
LEU A 385
GLY A 392
PHE A 373
 None
 1.13A 5vooD-4b92A:
8.4		 5vooD-4b92A:
21.68
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.
4cab CATALASE

(Deinococcus
radiodurans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLU A 248
GLY A 252
MET A 327
VAL A 122
GLY A 225
 None
 1.12A 5vooD-4cabA:
undetectable		 5vooD-4cabA:
20.79
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 376
ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
SER A 578
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 (-4.2A)
 0.43A 5vooD-4cczA:
38.6		 5vooD-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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		5 GLY A 177
VAL A 133
LEU A 299
GLY A 151
ILE A 169
 EDO  A 502 (-3.7A)
None
None
None
None
 1.11A 5vooD-4e4rA:
undetectable		 5vooD-4e4rA:
23.53
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 298
VAL A 347
GLY A 280
SER A 287
ILE A 240
 None
 1.17A 5vooD-4fgwA:
undetectable		 5vooD-4fgwA:
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 523
LEU A 487
GLY A 499
SER A 502
PHE A 507
 NAG  A1010 (-3.9A)
None
NAG  A1010 ( 4.4A)
NAG  A1010 (-4.1A)
None
 0.70A 5vooD-4fysA:
undetectable		 5vooD-4fysA:
16.54
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASN A 362
LEU A 415
GLY A 348
SER A 352
PHE A 449
 None
 1.15A 5vooD-4h1sA:
3.6		 5vooD-4h1sA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.13A 5vooD-4i04A:
undetectable		 5vooD-4i04A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		5 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.16A 5vooD-4i05A:
undetectable		 5vooD-4i05A:
19.46
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.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 GLY A 149
LEU A 109
GLY A  58
SER A  60
ILE A  57
 None
 0.90A 5vooD-4jerA:
undetectable		 5vooD-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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 150
VAL A 169
LEU A 198
GLY A 173
SER A 174
 NK  A 501 (-3.1A)
None
None
None
None
 1.06A 5vooD-4jz6A:
2.8		 5vooD-4jz6A:
20.44
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLU A 273
GLY A 112
LYS A  46
VAL A 134
LEU A 161
 None
 1.18A 5vooD-4mynA:
2.4		 5vooD-4mynA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 GLU A 273
GLY A 112
LYS A  46
VAL A 134
SER A 154
 None
 0.99A 5vooD-4mynA:
2.4		 5vooD-4mynA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.11A 5vooD-4nenB:
2.6		 5vooD-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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 ASN A 306
GLY A 305
MET A 246
VAL A 231
ILE A 241
 MLY  A 304 ( 3.4A)
MLY  A 304 ( 2.4A)
None
None
None
 1.11A 5vooD-4nk6A:
undetectable		 5vooD-4nk6A:
20.84
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.
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)
 0.57A 5vooD-4o1eA:
27.9		 5vooD-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)
 1.05A 5vooD-4o1eA:
27.9		 5vooD-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
 1.17A 5vooD-4ovqA:
undetectable		 5vooD-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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 ASN A 306
GLY A 305
MET A 246
VAL A 231
ILE A 241
 None
 1.15A 5vooD-4ozyA:
undetectable		 5vooD-4ozyA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
 None
 1.00A 5vooD-4q0cA:
undetectable		 5vooD-4q0cA:
21.26
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		5 GLY A  45
MET A 186
VAL A 208
LEU A 210
ILE A  41
 None
None
None
GOL  A 405 ( 4.7A)
None
 1.16A 5vooD-4r7oA:
11.2		 5vooD-4r7oA:
23.48
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.
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
 0.78A 5vooD-4rxmA:
undetectable		 5vooD-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)
 1.09A 5vooD-4s1iB:
2.8		 5vooD-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.
4wk0 INTEGRIN BETA-1

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.18A 5vooD-4wk0B:
3.1		 5vooD-4wk0B:
20.66
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.
4xiv CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.16A 5vooD-4xivA:
undetectable		 5vooD-4xivA:
23.72
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.
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
 0.93A 5vooD-4yh2A:
undetectable		 5vooD-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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 GLY A 235
LYS A 230
LEU A 366
GLY A 274
ILE A 305
 None
 1.07A 5vooD-4zhjA:
undetectable		 5vooD-4zhjA:
13.75
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.
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
 1.17A 5vooD-5bxpA:
7.0		 5vooD-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.
5by2 PHOSPHOHEPTOSE
ISOMERASE

(Colwellia
psychrerythraea) 		PF13580
(SIS_2) 		5 GLY A  48
LEU A  23
GLY A 144
SER A 119
ILE A 171
 None
 1.17A 5vooD-5by2A:
undetectable		 5vooD-5by2A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 5vooD-5e6sB:
2.6		 5vooD-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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 GLU A 564
LEU A 484
GLY A 504
SER A 502
PHE A 455
 None
 0.97A 5vooD-5h8wA:
undetectable		 5vooD-5h8wA:
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.
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
 1.08A 5vooD-5hz1B:
undetectable		 5vooD-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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 GLY A 233
LEU A 111
GLY A  74
PHE A 150
ILE A  75
 LLP  A  42 ( 4.0A)
None
None
None
None
 1.05A 5vooD-5jjcA:
2.4		 5vooD-5jjcA:
23.65
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 5 VAL A 456
LEU A 392
GLY A 398
PHE A 103
ILE A 399
 None
 1.11A 5vooD-5mhfA:
undetectable		 5vooD-5mhfA:
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.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 5 GLU B  74
GLY B 219
LEU B  95
SER B 258
PHE B 260
 None
 1.18A 5vooD-5o6yB:
2.3		 5vooD-5o6yB:
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
 1.14A 5vooD-5oe5A:
undetectable		 5vooD-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
 1.05A 5vooD-5t6oA:
undetectable		 5vooD-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.
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
 1.06A 5vooD-5tnuA:
undetectable		 5vooD-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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 288
LEU A 316
GLY A 293
SER A 294
ILE A 244
 None
 0.97A 5vooD-5u2aA:
undetectable		 5vooD-5u2aA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 5vooD-5v4bB:
undetectable		 5vooD-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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 8 ASN A 376
GLY A 379
LYS A 381
ASP A 443
MET A 441
VAL A 490
GLY A 570
PHE A 576
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-4.7A)
 1.46A 5vooD-5vopA:
46.4		 5vooD-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
MET A 441
VAL A 490
LEU A 492
GLY A 570
SER A 572
PHE A 576
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.5A)
 0.54A 5vooD-5vopA:
46.4		 5vooD-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.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 5 LYS A  32
VAL A 229
LEU A 233
GLY A 193
ILE A  49
 None
 1.08A 5vooD-5vy3A:
undetectable		 5vooD-5vy3A:
22.88
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.
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
 1.18A 5vooD-5w3jB:
undetectable		 5vooD-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.
5x4s SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF16451
(Spike_NTD) 		5 GLY A  39
LEU A 194
GLY A  86
PHE A  59
ILE A  87
 None
 1.13A 5vooD-5x4sA:
undetectable		 5vooD-5x4sA:
19.82
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.
5z7r SHORT-CHAIN-ENOYL-CO
A HYDRATASE

(Clostridium
acetobutylicum) 		no annotation 5 GLY A  65
MET A  36
GLY A  56
PHE A 107
ILE A  19
 None
 1.18A 5vooD-5z7rA:
2.6		 5vooD-5z7rA:
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 5 GLY A 242
ASP A 471
GLY A 114
SER A  33
ILE A 119
 None
ADP  A 501 (-3.6A)
None
None
None
 0.97A 5vooD-6c8zA:
2.6		 5vooD-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
 1.10A 5vooD-6gunA:
undetectable		 5vooD-6gunA:
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		4 ASP A  75
ASN A  96
ASP A 160
ARG A 207
 None
 0.49A 5vooD-1f6yA:
29.3		 5vooD-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.
1h2u 20 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		4 ASP X 141
ASP X 136
ASN X  46
ARG X 105
 None
 1.38A 5vooD-1h2uX:
undetectable		 5vooD-1h2uX:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		4 ASP A 255
ASN A  46
ASP A  16
ASN A 108
 RIB  A 311 (-3.1A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.8A)
None
 1.25A 5vooD-1rk2A:
2.2		 5vooD-1rk2A:
26.41
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 933
ASN A 931
ASP A 874
ASN A 855
 None
 1.46A 5vooD-1ux6A:
undetectable		 5vooD-1ux6A:
19.21
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 497
ASN A 495
ASP A 527
ARG A 639
 None
 1.44A 5vooD-1w6jA:
undetectable		 5vooD-1w6jA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 ASP A 261
ASN A  44
ASP A  12
ASN A 110
 None
ACT  A 321 (-3.9A)
ACT  A 321 (-3.1A)
None
 1.11A 5vooD-2ajrA:
2.6		 5vooD-2ajrA:
24.28
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) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 200
ARG A 208
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.37A 5vooD-2ycjA:
29.9		 5vooD-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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 ASP A 301
ASN A 185
ASP A 233
ARG A 383
 None
 1.38A 5vooD-3i3lA:
undetectable		 5vooD-3i3lA:
21.45
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) 		5 ASP A 396
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 ( 4.7A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 1.34A 5vooD-3k13A:
38.4		 5vooD-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) 		5 ASP A 431
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 0.28A 5vooD-3k13A:
38.4		 5vooD-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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 4 ASP B 607
ASN B 432
ASP B 717
ASN B 684
 None
 1.32A 5vooD-3nr8B:
undetectable		 5vooD-3nr8B:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 259
ASN A 257
ASP A 198
ASN A 108
 None
 1.15A 5vooD-3u37A:
3.5		 5vooD-3u37A:
21.90
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 256
ASN A 278
ASP A 332
ARG A 187
 SO4  A 374 (-3.1A)
None
None
None
 1.22A 5vooD-3u9iA:
9.8		 5vooD-3u9iA:
26.95
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 ASP A 278
ASN A  63
ASP A  15
ARG A 195
 ADN  A 353 (-3.3A)
ADN  A 353 (-3.4A)
ADN  A 353 (-2.8A)
None
 0.86A 5vooD-3uboA:
2.7		 5vooD-3uboA:
24.44
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 ASP A 414
ASP A 537
ASN A 579
ARG A 591
 None
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.88A 5vooD-4cczA:
38.6		 5vooD-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 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 585
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.3A)
 1.20A 5vooD-4cczA:
38.6		 5vooD-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 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 591
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.34A 5vooD-4cczA:
38.6		 5vooD-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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 ASP A 276
ASN A  61
ASP A  13
ARG A 193
 ADN  A 500 (-2.8A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.7A)
None
 0.89A 5vooD-4e3aA:
2.2		 5vooD-4e3aA:
22.19
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 ASP A 331
ASN A  65
ASP A  57
ARG A 149
 None
 1.32A 5vooD-4lrsA:
15.0		 5vooD-4lrsA:
23.16
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.76A 5vooD-4o1eA:
27.9		 5vooD-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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		4 ASP A  22
ASP A  15
ASN A 335
ARG A 333
 None
 1.46A 5vooD-4tpnA:
undetectable		 5vooD-4tpnA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A1200
ASP A 926
ASN A 784
ARG A 836
 None
 1.20A 5vooD-4zhjA:
undetectable		 5vooD-4zhjA:
13.75
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.
5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Cryptococcus
neoformans) 		PF02358
(Trehalose_PPase) 		4 ASP A 214
ASN A  24
ASP A  26
ASN A 178
 T6P  A 402 ( 4.3A)
MG  A 401 ( 2.5A)
T6P  A 402 ( 2.9A)
T6P  A 402 (-3.5A)
 1.22A 5vooD-5dx9A:
undetectable		 5vooD-5dx9A:
24.87
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  99
ASN A 101
ASN A 210
ARG A 216
 None
 1.36A 5vooD-5jp6A:
2.1		 5vooD-5jp6A:
24.93
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 607
ASN A 432
ASP A 717
ASN A 684
 None
 1.27A 5vooD-5okoA:
undetectable		 5vooD-5okoA:
20.40
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 ASP A 443
ASN A 464
ASP A 531
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.15A 5vooD-5vopA:
46.4		 5vooD-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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 4 ASN A  10
ASP A  92
ASN A  85
ARG A 172
 None
 1.20A 5vooD-5xb6A:
undetectable		 5vooD-5xb6A:
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.
5xyk PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		no annotation 4 ASP E 204
ASN E 272
ASP E 239
ARG E  72
 None
ARG  E 401 (-4.3A)
UDP  E 403 ( 3.2A)
None
 1.44A 5vooD-5xykE:
undetectable		 5vooD-5xykE:
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.
6d0y NUCLEAR CAP-BINDING
PROTEIN SUBUNIT 2

(Homo sapiens) 		no annotation 4 ASP A 141
ASP A 136
ASN A  46
ARG A 105
 None
 1.35A 5vooD-6d0yA:
undetectable		 5vooD-6d0yA:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASP K 488
ASN K 487
ASP K 784
ARG K 624
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.25A 5vooD-6d6qK:
undetectable		 5vooD-6d6qK:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASP K 488
ASN K 487
ASP K 784
ASN K 671
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.25A 5vooD-6d6qK:
undetectable		 5vooD-6d6qK:
undetectable