SIMILAR PATTERNS OF AMINO ACIDS FOR 1I18_B_RBFB99_1

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 246
ILE A 250
ASP A  62
LEU A  29
ILE A  95
 OXM  A 355 (-4.6A)
None
None
None
None
 1.38A 1i18A-1a5zA:
0.0
1i18B-1a5zA:
undetectable		 1i18A-1a5zA:
16.24
1i18B-1a5zA:
16.24
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 THR A 105
LEU A 111
LEU A 213
ILE A 232
THR A 235
 None
 1.42A 1i18A-1gwiA:
undetectable
1i18B-1gwiA:
undetectable		 1i18A-1gwiA:
15.09
1i18B-1gwiA:
15.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hze RIBOFLAVIN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00677
(Lum_binding) 		7 CYH A  48
LEU A  49
ASP A  62
LEU A  63
THR A  67
ILE A  70
THR A  71
 RBF  A  98 (-3.3A)
RBF  A  98 (-3.8A)
RBF  A  98 (-2.7A)
RBF  A  98 (-4.1A)
RBF  A  98 (-3.1A)
RBF  A  98 ( 4.1A)
None
 0.23A 1i18A-1hzeA:
20.4
1i18B-1hzeA:
20.2		 1i18A-1hzeA:
100.00
1i18B-1hzeA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i31 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 THR A 433
ILE A 386
CYH A 435
LEU A 301
ILE A 351
 None
 1.39A 1i18A-1i31A:
0.0
1i18B-1i31A:
0.0		 1i18A-1i31A:
12.94
1i18B-1i31A:
12.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 PHE A   2
LEU A  49
LEU A  63
ILE A  70
THR A  71
 None
 0.98A 1i18A-1i8dA:
13.2
1i18B-1i8dA:
12.7		 1i18A-1i8dA:
100.00
1i18B-1i8dA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 THR A 448
ILE A 449
ASP A 395
THR A 402
ILE A 405
 None
 1.35A 1i18A-1i8qA:
0.1
1i18B-1i8qA:
0.0		 1i18A-1i8qA:
9.66
1i18B-1i8qA:
9.66
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 ILE A 285
LEU A 322
LEU A  92
ILE A 109
THR A 106
 None
 1.31A 1i18A-1iwpA:
undetectable
1i18B-1iwpA:
0.0		 1i18A-1iwpA:
10.74
1i18B-1iwpA:
10.74
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		5 PHE A  47
THR A  46
LEU A   5
LEU A 334
THR A 327
 None
 1.10A 1i18A-1jofA:
0.0
1i18B-1jofA:
0.0		 1i18A-1jofA:
15.31
1i18B-1jofA:
15.31
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 PHE A  55
ILE A 182
LEU A  50
LEU A  22
ILE A  47
 None
 1.43A 1i18A-1jqgA:
0.0
1i18B-1jqgA:
0.0		 1i18A-1jqgA:
12.47
1i18B-1jqgA:
12.47
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.
1pdk PROTEIN (PROTEIN
PAPK)

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 PHE B  67
THR B  66
LEU B 123
LEU B 121
ILE B  62
 None
 1.12A 1i18A-1pdkB:
undetectable
1i18B-1pdkB:
undetectable		 1i18A-1pdkB:
21.60
1i18B-1pdkB:
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		5 PHE A  47
ILE A  15
CYH A  19
THR A 235
THR A 246
 None
 1.19A 1i18A-1qxyA:
undetectable
1i18B-1qxyA:
undetectable		 1i18A-1qxyA:
18.99
1i18B-1qxyA:
18.99
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.
1rw0 CONSERVED
HYPOTHETICAL PROTEIN

(Salmonella
enterica) 		PF02578
(Cu-oxidase_4) 		5 THR A 233
LEU A  36
LEU A  54
ILE A  23
THR A  21
 None
 1.39A 1i18A-1rw0A:
undetectable
1i18B-1rw0A:
undetectable		 1i18A-1rw0A:
19.15
1i18B-1rw0A:
19.15
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 THR A 391
LEU A 323
ASP A 318
ILE A 326
THR A 340
 None
 1.23A 1i18A-1sqjA:
undetectable
1i18B-1sqjA:
undetectable		 1i18A-1sqjA:
9.18
1i18B-1sqjA:
9.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		5 PHE C 715
ILE C 676
LEU C 655
LEU C 619
ILE C 635
 None
 1.38A 1i18A-1u6gC:
undetectable
1i18B-1u6gC:
undetectable		 1i18A-1u6gC:
6.76
1i18B-1u6gC:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xeu INTERNALIN C

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 PHE A 146
LEU A 164
LEU A 183
ILE A 177
THR A 155
 None
 1.06A 1i18A-1xeuA:
undetectable
1i18B-1xeuA:
undetectable		 1i18A-1xeuA:
20.23
1i18B-1xeuA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		5 ILE A   8
LEU A 110
LEU A 112
ILE A 214
THR A 215
 None
 1.42A 1i18A-1z9aA:
undetectable
1i18B-1z9aA:
undetectable		 1i18A-1z9aA:
14.52
1i18B-1z9aA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 THR A 126
ILE A 129
LEU A 178
LEU A 176
ILE A 143
 None
 1.32A 1i18A-2anpA:
undetectable
1i18B-2anpA:
undetectable		 1i18A-2anpA:
19.56
1i18B-2anpA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d07 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		5 PHE A 189
ILE A 137
LEU A 132
THR A 264
ILE A 259
 None
 1.21A 1i18A-2d07A:
undetectable
1i18B-2d07A:
undetectable		 1i18A-2d07A:
19.13
1i18B-2d07A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glj PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Clostridium
acetobutylicum) 		PF02127
(Peptidase_M18) 		5 ILE A 431
CYH A 433
ASP A 266
THR A 418
THR A 373
 None
None
MN  A6002 ( 4.9A)
None
None
 1.31A 1i18A-2gljA:
undetectable
1i18B-2gljA:
undetectable		 1i18A-2gljA:
14.93
1i18B-2gljA:
14.93
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		5 ILE A 126
CYH A 247
LEU A 246
LEU A 221
ILE A 199
 None
 1.41A 1i18A-2i6dA:
0.6
1i18B-2i6dA:
0.6		 1i18A-2i6dA:
17.39
1i18B-2i6dA:
17.39
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.
2isj BLUB

(Sinorhizobium
meliloti) 		PF00881
(Nitroreductase) 		5 PHE A  37
ILE A 111
CYH A 191
LEU A 190
ILE A 174
 None
 1.07A 1i18A-2isjA:
undetectable
1i18B-2isjA:
undetectable		 1i18A-2isjA:
24.44
1i18B-2isjA:
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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		5 PHE X1226
THR X1213
CYH X1228
LEU X1177
LEU X1158
 None
None
None
None
GOL  X3001 ( 4.7A)
 1.29A 1i18A-2o4uX:
undetectable
1i18B-2o4uX:
undetectable		 1i18A-2o4uX:
16.42
1i18B-2o4uX:
16.42
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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		5 PHE X1226
THR X1213
CYH X1228
LEU X1177
THR X1231
 None
 1.36A 1i18A-2o4uX:
undetectable
1i18B-2o4uX:
undetectable		 1i18A-2o4uX:
16.42
1i18B-2o4uX:
16.42
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 THR A   7
ILE A 187
LEU A 317
LEU A 256
ILE A 252
 None
 1.43A 1i18A-2q7xA:
undetectable
1i18B-2q7xA:
undetectable		 1i18A-2q7xA:
17.21
1i18B-2q7xA:
17.21
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.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		5 THR A 247
ILE A 216
LEU A 198
ASP A 199
ILE A 137
 None
 1.42A 1i18A-2qv6A:
undetectable
1i18B-2qv6A:
undetectable		 1i18A-2qv6A:
17.36
1i18B-2qv6A:
17.36
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.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 ILE A 261
LEU A  61
LEU A  56
ILE A 251
THR A  25
 None
 1.23A 1i18A-2rb5A:
undetectable
1i18B-2rb5A:
undetectable		 1i18A-2rb5A:
20.38
1i18B-2rb5A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PHE A 216
ILE A 327
ASP A 367
THR A 395
ILE A 397
 None
 1.24A 1i18A-2v4jA:
undetectable
1i18B-2v4jA:
undetectable		 1i18A-2v4jA:
12.87
1i18B-2v4jA:
12.87
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 THR A 654
ILE A 651
LEU A 612
ILE A 633
THR A 629
 None
 1.41A 1i18A-2vcaA:
undetectable
1i18B-2vcaA:
undetectable		 1i18A-2vcaA:
7.66
1i18B-2vcaA:
7.66
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 THR A 191
ILE A 207
LEU A 180
LEU A 153
ILE A 128
 None
 1.42A 1i18A-2xyqA:
undetectable
1i18B-2xyqA:
undetectable		 1i18A-2xyqA:
14.81
1i18B-2xyqA:
14.81
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.
2yva DNAA
INITIATOR-ASSOCIATIN
G PROTEIN DIAA

(Escherichia
coli) 		PF13580
(SIS_2) 		5 THR A 138
ILE A 139
LEU A  45
LEU A  79
ILE A 125
 None
 1.36A 1i18A-2yvaA:
undetectable
1i18B-2yvaA:
undetectable		 1i18A-2yvaA:
21.03
1i18B-2yvaA:
21.03
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.
2z55 ARCHAERHODOPSIN-2

(Halobacterium
sp. AUS-2) 		PF01036
(Bac_rhodopsin) 		5 THR A  50
ILE A  49
LEU A  99
ASP A 120
LEU A 116
 None
 1.36A 1i18A-2z55A:
undetectable
1i18B-2z55A:
undetectable		 1i18A-2z55A:
20.00
1i18B-2z55A:
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.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		5 PHE A  86
THR A  83
ILE A 174
LEU A 157
ILE A 240
 None
 1.39A 1i18A-3bdzA:
undetectable
1i18B-3bdzA:
undetectable		 1i18A-3bdzA:
14.63
1i18B-3bdzA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		5 PHE A  93
THR A 134
LEU A 129
THR A 122
ILE A 121
 None
 1.35A 1i18A-3bo7A:
undetectable
1i18B-3bo7A:
undetectable		 1i18A-3bo7A:
20.53
1i18B-3bo7A:
20.53
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		5 THR A 285
LEU A 184
ASP A 185
LEU A 188
ILE A 221
 None
 1.27A 1i18A-3g3lA:
undetectable
1i18B-3g3lA:
undetectable		 1i18A-3g3lA:
16.34
1i18B-3g3lA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 215
LEU A 308
THR A 300
ILE A 303
THR A 304
 None
 1.01A 1i18A-3g8dA:
undetectable
1i18B-3g8dA:
undetectable		 1i18A-3g8dA:
12.67
1i18B-3g8dA:
12.67
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.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		5 ILE A 383
LEU A 264
ASP A 285
LEU A 236
ILE A 260
 None
 1.28A 1i18A-3h6eA:
undetectable
1i18B-3h6eA:
undetectable		 1i18A-3h6eA:
11.46
1i18B-3h6eA:
11.46
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 488
LEU A 403
LEU A 392
THR A 390
ILE A 465
 None
 1.28A 1i18A-3h8fA:
undetectable
1i18B-3h8fA:
undetectable		 1i18A-3h8fA:
12.55
1i18B-3h8fA:
12.55
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 PHE X 197
THR X 193
LEU X 254
LEU X 248
THR X 291
 None
 1.41A 1i18A-3kvnX:
undetectable
1i18B-3kvnX:
undetectable		 1i18A-3kvnX:
12.45
1i18B-3kvnX:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		5 THR A 498
LEU A 527
THR A 469
ILE A 472
THR A 473
 None
 1.24A 1i18A-3l6yA:
undetectable
1i18B-3l6yA:
undetectable		 1i18A-3l6yA:
11.93
1i18B-3l6yA:
11.93
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.
3mjq UNCHARACTERIZED
PROTEIN

(Desulfitobacterium
hafniense) 		PF13426
(PAS_9) 		5 ILE A 104
LEU A  63
LEU A  60
ILE A  47
THR A  48
 None
 1.30A 1i18A-3mjqA:
undetectable
1i18B-3mjqA:
undetectable		 1i18A-3mjqA:
20.16
1i18B-3mjqA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		5 ILE A 142
CYH A 187
LEU A 188
THR A  34
ILE A  37
 None
 1.27A 1i18A-3odpA:
undetectable
1i18B-3odpA:
undetectable		 1i18A-3odpA:
13.88
1i18B-3odpA:
13.88
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 THR A 299
ILE A 298
LEU A 304
ASP A 305
LEU A 309
 None
 1.27A 1i18A-3oetA:
undetectable
1i18B-3oetA:
undetectable		 1i18A-3oetA:
15.30
1i18B-3oetA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 THR A 173
ILE A 133
LEU A 181
LEU A 186
THR A 146
 None
 1.34A 1i18A-3ogzA:
undetectable
1i18B-3ogzA:
undetectable		 1i18A-3ogzA:
10.18
1i18B-3ogzA:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 PHE A 420
LEU A 401
ASP A 407
THR A 352
ILE A 355
 HEA  A   2 ( 4.0A)
HEA  A   2 (-3.8A)
HEA  A   2 (-2.5A)
HEA  A   2 (-4.2A)
None
 1.35A 1i18A-3omnA:
undetectable
1i18B-3omnA:
undetectable		 1i18A-3omnA:
10.53
1i18B-3omnA:
10.53
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.
3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Campylobacter
jejuni) 		PF02540
(NAD_synthase) 		5 PHE A 151
ILE A 154
LEU A  28
LEU A  30
ILE A  34
 None
 1.28A 1i18A-3p52A:
undetectable
1i18B-3p52A:
undetectable		 1i18A-3p52A:
16.67
1i18B-3p52A:
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.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		5 PHE A 130
LEU A 209
LEU A 202
ILE A 177
THR A 239
 None
 1.40A 1i18A-3pl0A:
undetectable
1i18B-3pl0A:
undetectable		 1i18A-3pl0A:
17.79
1i18B-3pl0A:
17.79
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		5 THR A 191
ILE A 207
LEU A 180
LEU A 153
ILE A 128
 None
 1.42A 1i18A-3r24A:
undetectable
1i18B-3r24A:
undetectable		 1i18A-3r24A:
14.24
1i18B-3r24A:
14.24
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.
3r7w GTP-BINDING PROTEIN
GTR1

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		5 ILE A 302
CYH A 284
LEU A 207
LEU A 193
ILE A 199
 None
 1.31A 1i18A-3r7wA:
undetectable
1i18B-3r7wA:
undetectable		 1i18A-3r7wA:
15.72
1i18B-3r7wA:
15.72
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 PHE A 555
THR A 556
ASP A 566
LEU A 565
ILE A 606
 None
 1.38A 1i18A-3sdqA:
undetectable
1i18B-3sdqA:
undetectable		 1i18A-3sdqA:
8.19
1i18B-3sdqA:
8.19
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A   5
LEU A  21
LEU A 332
THR A 334
ILE A  92
 None
 1.34A 1i18A-3tz6A:
undetectable
1i18B-3tz6A:
undetectable		 1i18A-3tz6A:
16.56
1i18B-3tz6A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A   7
LEU A  21
LEU A 332
THR A 334
ILE A  92
 None
 1.42A 1i18A-3tz6A:
undetectable
1i18B-3tz6A:
undetectable		 1i18A-3tz6A:
16.56
1i18B-3tz6A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uo7 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		5 PHE A 189
ILE A 137
LEU A 132
THR A 264
ILE A 259
 None
 1.26A 1i18A-3uo7A:
undetectable
1i18B-3uo7A:
undetectable		 1i18A-3uo7A:
17.50
1i18B-3uo7A:
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.
3zf8 MANNAN POLYMERASE
COMPLEXES SUBUNIT
MNN9

(Saccharomyces
cerevisiae) 		PF03452
(Anp1) 		5 PHE A 126
ILE A 240
LEU A 134
LEU A 137
THR A 242
 None
 1.12A 1i18A-3zf8A:
undetectable
1i18B-3zf8A:
undetectable		 1i18A-3zf8A:
16.06
1i18B-3zf8A:
16.06
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.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 ILE A 187
LEU A 226
LEU A 239
THR A 237
ILE A 201
 None
 1.17A 1i18A-4ay7A:
undetectable
1i18B-4ay7A:
undetectable		 1i18A-4ay7A:
15.17
1i18B-4ay7A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 5 THR A 524
ILE A 525
LEU A 532
LEU A 596
ILE A 635
 None
 1.41A 1i18A-4bwpA:
undetectable
1i18B-4bwpA:
undetectable		 1i18A-4bwpA:
12.81
1i18B-4bwpA:
12.81
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		5 THR A  10
ILE A  11
LEU A 115
LEU A 121
ILE A 193
 None
 1.39A 1i18A-4ckbA:
undetectable
1i18B-4ckbA:
undetectable		 1i18A-4ckbA:
8.32
1i18B-4ckbA:
8.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		5 THR A   3
ILE A   5
LEU A 150
LEU A 164
THR A 172
 None
 1.23A 1i18A-4e0fA:
11.0
1i18B-4e0fA:
10.7		 1i18A-4e0fA:
24.29
1i18B-4e0fA:
24.29
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		5 PHE A1000
THR A 998
LEU A 959
LEU A 958
ILE A 953
 None
 1.29A 1i18A-4f1nA:
undetectable
1i18B-4f1nA:
undetectable		 1i18A-4f1nA:
6.85
1i18B-4f1nA:
6.85
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 THR A  35
ILE A  44
LEU A  16
LEU A 222
ILE A  71
 THR  A  35 ( 0.8A)
ILE  A  44 ( 0.5A)
LEU  A  16 ( 0.6A)
LEU  A 222 ( 0.6A)
ILE  A  71 ( 0.7A)
 1.39A 1i18A-4g41A:
undetectable
1i18B-4g41A:
undetectable		 1i18A-4g41A:
18.61
1i18B-4g41A:
18.61
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.
4gk5 DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16727
(REV1_C) 		5 THR E1177
ILE E1176
LEU E1171
LEU E1159
ILE E1232
 None
 1.29A 1i18A-4gk5E:
undetectable
1i18B-4gk5E:
undetectable		 1i18A-4gk5E:
18.98
1i18B-4gk5E:
18.98
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		5 THR A 205
ILE A 209
LEU A 168
THR A 215
ILE A 216
 None
 1.24A 1i18A-4i2wA:
undetectable
1i18B-4i2wA:
undetectable		 1i18A-4i2wA:
7.63
1i18B-4i2wA:
7.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 THR A 468
ILE A 467
ASP A 474
LEU A 473
ILE A 188
 None
 1.31A 1i18A-4issA:
undetectable
1i18B-4issA:
undetectable		 1i18A-4issA:
9.45
1i18B-4issA:
9.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j7b POLO-LIKE KINASE

(Danio rerio) 		PF00659
(POLO_box) 		5 PHE B 525
ILE B 544
LEU B 534
ILE B 397
THR B 552
 None
 1.43A 1i18A-4j7bB:
undetectable
1i18B-4j7bB:
undetectable		 1i18A-4j7bB:
17.72
1i18B-4j7bB:
17.72
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.
4kdi UBIQUITIN
THIOESTERASE OTU1

(Saccharomyces
cerevisiae) 		no annotation 5 THR C  71
ILE C  72
LEU C   3
LEU C  16
ILE C  26
 None
 1.26A 1i18A-4kdiC:
undetectable
1i18B-4kdiC:
undetectable		 1i18A-4kdiC:
25.00
1i18B-4kdiC:
25.00
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 THR A 230
ILE A 150
LEU A  47
LEU A  69
ILE A  58
 None
 1.28A 1i18A-4krgA:
undetectable
1i18B-4krgA:
undetectable		 1i18A-4krgA:
11.31
1i18B-4krgA:
11.31
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.
4mh0 RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 THR E 717
ILE E 718
LEU E 797
LEU E 769
ILE E 805
 None
 1.38A 1i18A-4mh0E:
undetectable
1i18B-4mh0E:
undetectable		 1i18A-4mh0E:
8.93
1i18B-4mh0E:
8.93
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.
4mp3 PUTATIVE ORNITHINE
CYCLODEAMINASE

(Staphylococcus
aureus) 		PF02423
(OCD_Mu_crystall) 		5 PHE A 245
LEU A 304
ASP A 254
LEU A 284
ILE A 292
 None
 1.31A 1i18A-4mp3A:
undetectable
1i18B-4mp3A:
undetectable		 1i18A-4mp3A:
14.41
1i18B-4mp3A:
14.41
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 5 PHE A 573
ILE A 594
LEU A 518
LEU A 565
ILE A 618
 None
 1.42A 1i18A-4nuzA:
undetectable
1i18B-4nuzA:
undetectable		 1i18A-4nuzA:
7.79
1i18B-4nuzA:
7.79
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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 PHE B 442
ILE B 447
LEU B 376
LEU B 372
ILE B 414
 None
 1.38A 1i18A-4ol0B:
undetectable
1i18B-4ol0B:
undetectable		 1i18A-4ol0B:
9.31
1i18B-4ol0B:
9.31
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 PHE A 243
THR A 244
THR A 194
ILE A 197
THR A 198
 NAD  A 601 (-4.3A)
NAD  A 601 (-4.1A)
None
None
None
 1.09A 1i18A-4pxnA:
undetectable
1i18B-4pxnA:
undetectable		 1i18A-4pxnA:
12.68
1i18B-4pxnA:
12.68
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 PHE A 429
THR A 426
ILE A 487
LEU A 434
LEU A 453
 None
 1.41A 1i18A-4q6rA:
undetectable
1i18B-4q6rA:
undetectable		 1i18A-4q6rA:
11.99
1i18B-4q6rA:
11.99
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.
4tzh LIC12234

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 THR A  55
LEU A  49
ASP A  48
LEU A  47
ILE A  84
 None
None
CL  A 306 ( 4.1A)
None
None
 1.21A 1i18A-4tzhA:
undetectable
1i18B-4tzhA:
undetectable		 1i18A-4tzhA:
20.74
1i18B-4tzhA:
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.
4x4w CCA TRNA
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd) 		5 ILE A 241
LEU A 235
ASP A 234
LEU A 231
ILE A 219
 None
 1.34A 1i18A-4x4wA:
undetectable
1i18B-4x4wA:
undetectable		 1i18A-4x4wA:
13.94
1i18B-4x4wA:
13.94
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 THR A 115
ILE A 119
LEU A   9
LEU A  77
ILE A 181
 None
 1.41A 1i18A-4xgnA:
undetectable
1i18B-4xgnA:
undetectable		 1i18A-4xgnA:
17.58
1i18B-4xgnA:
17.58
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		5 THR A 578
ILE A 654
LEU A 521
THR A 517
ILE A 516
 None
 1.40A 1i18A-4xjxA:
undetectable
1i18B-4xjxA:
undetectable		 1i18A-4xjxA:
6.08
1i18B-4xjxA:
6.08
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		5 LEU B 250
LEU B 227
THR B 288
ILE B 291
THR B 292
 None
 1.38A 1i18A-4yg8B:
undetectable
1i18B-4yg8B:
undetectable		 1i18A-4yg8B:
8.87
1i18B-4yg8B:
8.87
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 5 PHE C  47
ILE C  97
LEU C  44
LEU C  27
ILE C 104
 None
 1.34A 1i18A-4zngC:
undetectable
1i18B-4zngC:
undetectable		 1i18A-4zngC:
13.73
1i18B-4zngC:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 PHE A1084
THR A1040
LEU A1075
THR A1044
ILE A1022
 None
 1.25A 1i18A-5a42A:
undetectable
1i18B-5a42A:
undetectable		 1i18A-5a42A:
4.58
1i18B-5a42A:
4.58
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.
5d6s EPOXYQUEUOSINE
REDUCTASE

(Streptococcus
thermophilus) 		PF08331
(DUF1730)
PF13484
(Fer4_16) 		5 THR A 325
ILE A 316
LEU A 268
LEU A 265
ILE A 309
 None
 1.40A 1i18A-5d6sA:
undetectable
1i18B-5d6sA:
undetectable		 1i18A-5d6sA:
15.06
1i18B-5d6sA:
15.06
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.
5ff8 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		5 PHE A 189
ILE A 137
LEU A 132
THR A 264
ILE A 259
 None
 1.27A 1i18A-5ff8A:
undetectable
1i18B-5ff8A:
undetectable		 1i18A-5ff8A:
18.39
1i18B-5ff8A:
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 THR A 371
ASP A 255
LEU A 320
THR A 330
ILE A 343
 None
 1.43A 1i18A-5fifA:
undetectable
1i18B-5fifA:
undetectable		 1i18A-5fifA:
11.03
1i18B-5fifA:
11.03
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.
5gnc AVH146

(Phytophthora
sojae) 		no annotation 5 THR A 296
LEU A 288
ASP A 287
THR A 341
THR A 344
 None
 1.26A 1i18A-5gncA:
undetectable
1i18B-5gncA:
undetectable		 1i18A-5gncA:
11.48
1i18B-5gncA:
11.48
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 PHE A  74
ILE A 270
LEU A 262
LEU A 159
ILE A 136
 None
 1.11A 1i18A-5hmmA:
undetectable
1i18B-5hmmA:
undetectable		 1i18A-5hmmA:
16.73
1i18B-5hmmA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 THR A 468
ILE A 467
ASP A 474
LEU A 473
ILE A 188
 None
 1.30A 1i18A-5i8iA:
2.3
1i18B-5i8iA:
2.3		 1i18A-5i8iA:
4.55
1i18B-5i8iA:
4.55
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A 541
ILE A 676
LEU A 640
LEU A 635
ILE A 591
 None
 1.28A 1i18A-5iy9A:
undetectable
1i18B-5iy9A:
undetectable		 1i18A-5iy9A:
4.69
1i18B-5iy9A:
4.69
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.
5j4r WELO5

(Hapalosiphon
welwitschii) 		no annotation 5 PHE A 100
THR A 146
ILE A 138
LEU A 178
LEU A 182
 None
 1.35A 1i18A-5j4rA:
undetectable
1i18B-5j4rA:
undetectable		 1i18A-5j4rA:
16.67
1i18B-5j4rA:
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.
5kom PUTATIVE FLUORIDE
ION TRANSPORTER CRCB

(Escherichia
coli) 		PF02537
(CRCB) 		5 THR A  70
ILE A  69
CYH A  74
LEU A  77
LEU A  18
 None
 1.41A 1i18A-5komA:
undetectable
1i18B-5komA:
undetectable		 1i18A-5komA:
25.66
1i18B-5komA:
25.66
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.
5mvh BACCELL_00856

(Bacteroides
cellulosilyticus) 		PF15892
(BNR_4) 		5 PHE A 146
ILE A  93
LEU A 103
LEU A 125
THR A  80
 None
 1.42A 1i18A-5mvhA:
undetectable
1i18B-5mvhA:
undetectable		 1i18A-5mvhA:
11.06
1i18B-5mvhA:
11.06
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.
5opt 40S RIBOSOMAL
PROTEIN S5, PUTATIVE
RIBOSOMAL PROTEIN
S25, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 THR O  82
ILE O  85
LEU O 155
ILE a  70
THR a  67
 None
None
U  E1990 ( 3.5A)
None
None
 1.33A 1i18A-5optO:
undetectable
1i18B-5optO:
undetectable		 1i18A-5optO:
20.62
1i18B-5optO:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5owg PCYX_EBK42635

(marine
metagenome) 		no annotation 5 PHE A 224
CYH A  71
LEU A  70
LEU A 165
ILE A 172
 None
 1.11A 1i18A-5owgA:
undetectable
1i18B-5owgA:
undetectable		 1i18A-5owgA:
14.75
1i18B-5owgA:
14.75
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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 THR A 145
ILE A 144
LEU A 109
ILE A 137
THR A 123
 None
TRS  A 706 (-3.6A)
None
None
TRS  A 706 ( 3.9A)
 1.36A 1i18A-5t88A:
undetectable
1i18B-5t88A:
undetectable		 1i18A-5t88A:
11.32
1i18B-5t88A:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1d ANTIGEN PEPTIDE
TRANSPORTER 1

(Homo sapiens) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 THR A 446
LEU A 316
LEU A 317
THR A 328
THR A 331
 None
 1.21A 1i18A-5u1dA:
undetectable
1i18B-5u1dA:
undetectable		 1i18A-5u1dA:
9.50
1i18B-5u1dA:
9.50
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.
5udb CELL DIVISION
CONTROL PROTEIN 6

(Saccharomyces
cerevisiae) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 THR 9 420
ILE 9 417
ASP 9 487
THR 9 463
ILE 9 464
 None
 1.32A 1i18A-5udb9:
undetectable
1i18B-5udb9:
undetectable		 1i18A-5udb9:
11.11
1i18B-5udb9:
11.11
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.
5uwy THIOREDOXIN
REDUCTASE

(Streptococcus
pyogenes) 		PF07992
(Pyr_redox_2) 		5 THR A 107
ILE A 105
ASP A 250
ILE A 265
THR A 263
 FAD  A 401 (-4.2A)
None
None
None
None
 1.30A 1i18A-5uwyA:
undetectable
1i18B-5uwyA:
undetectable		 1i18A-5uwyA:
15.41
1i18B-5uwyA:
15.41
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.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 THR A 185
ILE A 184
LEU A 233
THR A 195
ILE A 198
 SAM  A 604 (-3.8A)
None
None
None
None
 1.35A 1i18A-5v1sA:
undetectable
1i18B-5v1sA:
undetectable		 1i18A-5v1sA:
11.11
1i18B-5v1sA:
11.11
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE

(Trichomonas
vaginalis) 		PF00177
(Ribosomal_S7) 		5 PHE F   7
ILE F  98
LEU F  61
LEU F 140
ILE F  28
 None
 1.39A 1i18A-5xyiF:
undetectable
1i18B-5xyiF:
undetectable		 1i18A-5xyiF:
20.20
1i18B-5xyiF:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 ILE A 261
LEU A 266
THR A 238
ILE A  18
THR A 257
 None
 1.41A 1i18A-6cn1A:
undetectable
1i18B-6cn1A:
undetectable		 1i18A-6cn1A:
24.74
1i18B-6cn1A:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 5 PHE A 573
ILE A 594
LEU A 518
LEU A 565
ILE A 618
 None
 1.39A 1i18A-6en3A:
undetectable
1i18B-6en3A:
undetectable		 1i18A-6en3A:
19.59
1i18B-6en3A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f7s SERRATE RNA EFFECTOR
MOLECULE
HOMOLOG,SERRATE RNA
EFFECTOR MOLECULE
HOMOLOG

(Homo sapiens) 		no annotation 5 ILE C 506
LEU C 612
ASP C 609
LEU C 608
ILE C 515
 None
 1.33A 1i18A-6f7sC:
undetectable
1i18B-6f7sC:
undetectable		 1i18A-6f7sC:
16.33
1i18B-6f7sC:
16.33
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.
6gsa -

(-) 		no annotation 5 THR D 422
ILE D 418
CYH D 426
LEU D 476
ILE D 392
 None
 1.37A 1i18A-6gsaD:
undetectable
1i18B-6gsaD:
undetectable		 1i18A-6gsaD:
undetectable
1i18B-6gsaD:
undetectable