SIMILAR PATTERNS OF AMINO ACIDS FOR 4YB6_F_HISF302_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 0.99A 4yb6B-1dedA:
0.0
4yb6F-1dedA:
0.0		 4yb6B-1dedA:
16.69
4yb6F-1dedA:
16.69
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		5 MET A  72
LEU A  73
VAL A 111
GLU A  79
VAL A  85
 None
 1.28A 4yb6B-1epxA:
0.0
4yb6F-1epxA:
0.0		 4yb6B-1epxA:
24.22
4yb6F-1epxA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 MET A  72
LEU A  73
GLY A  84
VAL A 111
VAL A  85
 None
 1.31A 4yb6B-1f2jA:
0.0
4yb6F-1f2jA:
0.0		 4yb6B-1f2jA:
23.50
4yb6F-1f2jA:
23.50
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.
1frr FERREDOXIN I

(Equisetum
arvense) 		PF00111
(Fer2) 		5 LEU A  34
LEU A  84
GLY A  48
VAL A  73
VAL A  50
 None
 1.21A 4yb6B-1frrA:
undetectable
4yb6F-1frrA:
undetectable		 4yb6B-1frrA:
15.33
4yb6F-1frrA:
15.33
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 LEU A 272
LEU A 236
GLY A 278
VAL A 277
VAL A 280
 None
 1.27A 4yb6B-1fsuA:
0.4
4yb6F-1fsuA:
0.4		 4yb6B-1fsuA:
19.96
4yb6F-1fsuA:
19.96
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 HIS A 180
SER A 185
GLY A 173
VAL A 172
GLU A 212
 None
 1.29A 4yb6B-1gz0A:
undetectable
4yb6F-1gz0A:
0.0		 4yb6B-1gz0A:
23.96
4yb6F-1gz0A:
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 SER A 185
LEU A 182
GLY A 173
VAL A 172
GLU A 212
 None
 1.26A 4yb6B-1gz0A:
undetectable
4yb6F-1gz0A:
0.0		 4yb6B-1gz0A:
23.96
4yb6F-1gz0A:
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.
1h4y ANTI-SIGMA F FACTOR
ANTAGONIST

(Lysinibacillus
sphaericus) 		PF01740
(STAS) 		5 LEU A  21
LEU A  79
GLY A  61
VAL A  60
VAL A  63
 None
 1.29A 4yb6B-1h4yA:
0.0
4yb6F-1h4yA:
undetectable		 4yb6B-1h4yA:
17.61
4yb6F-1h4yA:
17.61
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.
1ic8 HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Homo sapiens) 		PF00046
(Homeobox)
PF04814
(HNF-1_N) 		5 SER A 210
LEU A 214
VAL A 259
GLU A 240
VAL A 264
 None
 1.09A 4yb6B-1ic8A:
0.0
4yb6F-1ic8A:
0.0		 4yb6B-1ic8A:
20.75
4yb6F-1ic8A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.09A 4yb6B-1kclA:
0.0
4yb6F-1kclA:
0.0		 4yb6B-1kclA:
19.67
4yb6F-1kclA:
19.67
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.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 HIS A 182
LEU A 144
SER A 180
GLY A 162
VAL A 160
 None
 1.19A 4yb6B-1nffA:
undetectable
4yb6F-1nffA:
undetectable		 4yb6B-1nffA:
20.13
4yb6F-1nffA:
20.13
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 MET A   1
LEU A 218
LEU A 285
VAL A 235
VAL A 252
 None
 0.98A 4yb6B-1nrwA:
undetectable
4yb6F-1nrwA:
undetectable		 4yb6B-1nrwA:
23.85
4yb6F-1nrwA:
23.85
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.
1oqv TOXIN-COREGULATED
PILUS SUBUNIT

(Vibrio cholerae) 		PF05946
(TcpA) 		5 LEU A 147
LEU A  40
GLY A 193
VAL A 194
VAL A 112
 None
 1.11A 4yb6B-1oqvA:
undetectable
4yb6F-1oqvA:
undetectable		 4yb6B-1oqvA:
20.20
4yb6F-1oqvA:
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.
1pzd COATOMER GAMMA
SUBUNIT

(Bos taurus) 		PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla) 		5 LEU A 791
LEU A 830
GLY A 802
VAL A 801
VAL A 805
 None
 1.26A 4yb6B-1pzdA:
undetectable
4yb6F-1pzdA:
undetectable		 4yb6B-1pzdA:
21.16
4yb6F-1pzdA:
21.16
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.
1qu7 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN I

(Escherichia
coli) 		PF00015
(MCPsignal) 		5 LEU A 420
SER A 358
GLY A 426
VAL A 425
VAL A 428
 None
 1.27A 4yb6B-1qu7A:
undetectable
4yb6F-1qu7A:
undetectable		 4yb6B-1qu7A:
23.30
4yb6F-1qu7A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 356
LEU A 360
GLY A 430
VAL A 456
THR A 378
 None
 1.19A 4yb6B-1r9jA:
2.0
4yb6F-1r9jA:
undetectable		 4yb6B-1r9jA:
19.76
4yb6F-1r9jA:
19.76
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 LEU A 582
LEU A 598
VAL A 680
THR A 578
VAL A 689
 None
 1.23A 4yb6B-1rtkA:
undetectable
4yb6F-1rtkA:
undetectable		 4yb6B-1rtkA:
20.12
4yb6F-1rtkA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 LEU A 253
VAL A 266
GLU A 123
THR A 298
VAL A 264
 None
 1.28A 4yb6B-1v5wA:
undetectable
4yb6F-1v5wA:
undetectable		 4yb6B-1v5wA:
21.79
4yb6F-1v5wA:
21.79
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 SER A  73
LEU A  60
GLY A  29
GLU A  70
VAL A  26
 None
 1.24A 4yb6B-1zmrA:
undetectable
4yb6F-1zmrA:
undetectable		 4yb6B-1zmrA:
23.57
4yb6F-1zmrA:
23.57
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 LEU B  96
SER B 119
LEU B 133
GLU B 122
VAL B 125
 None
 1.28A 4yb6B-2amcB:
5.8
4yb6F-2amcB:
5.8		 4yb6B-2amcB:
19.48
4yb6F-2amcB:
19.48
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 MET A 179
LEU A 103
LEU A 186
GLY A  95
VAL A 171
 None
 1.30A 4yb6B-2au1A:
undetectable
4yb6F-2au1A:
undetectable		 4yb6B-2au1A:
21.81
4yb6F-2au1A:
21.81
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 HIS A 222
SER A 266
GLY A 108
VAL A 109
VAL A  82
 None
 1.07A 4yb6B-2cevA:
undetectable
4yb6F-2cevA:
undetectable		 4yb6B-2cevA:
25.84
4yb6F-2cevA:
25.84
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		5 LEU A  68
GLY A  51
VAL A  50
THR A  77
VAL A  57
 None
 1.22A 4yb6B-2gmnA:
undetectable
4yb6F-2gmnA:
undetectable		 4yb6B-2gmnA:
23.48
4yb6F-2gmnA:
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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		5 MET A 239
LEU A 242
GLY A 176
VAL A 175
VAL A 182
 UD1  A 335 (-3.2A)
None
None
None
None
 1.15A 4yb6B-2gn4A:
undetectable
4yb6F-2gn4A:
undetectable		 4yb6B-2gn4A:
23.45
4yb6F-2gn4A:
23.45
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 107
SER A  90
LEU A 245
GLY A 154
VAL A 153
 None
 1.16A 4yb6B-2gp6A:
undetectable
4yb6F-2gp6A:
0.8		 4yb6B-2gp6A:
20.85
4yb6F-2gp6A:
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A  90
LEU A 245
GLY A 154
VAL A 153
GLU A 156
 None
 1.19A 4yb6B-2gp6A:
undetectable
4yb6F-2gp6A:
0.8		 4yb6B-2gp6A:
20.85
4yb6F-2gp6A:
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.
2gre DEBLOCKING
AMINOPEPTIDASE

(Bacillus cereus) 		PF05343
(Peptidase_M42) 		5 GLY A 163
VAL A 162
GLU A 161
THR A 108
VAL A  77
 None
 1.26A 4yb6B-2greA:
undetectable
4yb6F-2greA:
undetectable		 4yb6B-2greA:
22.41
4yb6F-2greA:
22.41
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.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		5 HIS A 181
LEU A 143
SER A 179
GLY A 161
VAL A 159
 None
 1.26A 4yb6B-2hsdA:
undetectable
4yb6F-2hsdA:
undetectable		 4yb6B-2hsdA:
20.39
4yb6F-2hsdA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 LEU A 177
LEU A 141
GLY A 149
VAL A 128
VAL A 147
 None
 1.30A 4yb6B-2ogxA:
undetectable
4yb6F-2ogxA:
undetectable		 4yb6B-2ogxA:
22.82
4yb6F-2ogxA:
22.82
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 HIS A 285
LEU A 268
GLY A 276
VAL A 209
VAL A 274
 FAD  A 701 (-3.9A)
None
None
None
None
 1.26A 4yb6B-2panA:
1.3
4yb6F-2panA:
1.7		 4yb6B-2panA:
19.43
4yb6F-2panA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 LEU A 143
LEU A 162
GLY A 179
VAL A 177
VAL A 178
 None
 1.27A 4yb6B-2qe6A:
undetectable
4yb6F-2qe6A:
undetectable		 4yb6B-2qe6A:
23.31
4yb6F-2qe6A:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 355
GLY A 379
VAL A 378
THR A 365
VAL A 361
 None
 1.29A 4yb6B-2qkxA:
undetectable
4yb6F-2qkxA:
undetectable		 4yb6B-2qkxA:
21.22
4yb6F-2qkxA:
21.22
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.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 LEU A 587
LEU A 492
GLY A 500
GLU A 588
VAL A 498
 None
 1.30A 4yb6B-2qqkA:
undetectable
4yb6F-2qqkA:
undetectable		 4yb6B-2qqkA:
20.92
4yb6F-2qqkA:
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 LEU A 587
LEU A 492
GLY A 500
GLU A 588
VAL A 498
 None
 1.30A 4yb6B-2qqoA:
undetectable
4yb6F-2qqoA:
undetectable		 4yb6B-2qqoA:
21.41
4yb6F-2qqoA:
21.41
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.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 LEU A  16
LEU A  95
GLY A  52
VAL A  51
VAL A 131
 None
 1.17A 4yb6B-2v4yA:
undetectable
4yb6F-2v4yA:
undetectable		 4yb6B-2v4yA:
24.84
4yb6F-2v4yA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w6j F1-ATPASE DELTA
SUBUNIT

(Bos taurus) 		PF02823
(ATP-synt_DE_N) 		5 LEU H  92
GLY H  61
VAL H  77
THR H  40
VAL H  63
 None
 1.05A 4yb6B-2w6jH:
undetectable
4yb6F-2w6jH:
undetectable		 4yb6B-2w6jH:
20.13
4yb6F-2w6jH:
20.13
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 998
GLY J 934
VAL J 935
GLU J 900
VAL J 930
 None
 1.26A 4yb6B-2wp8J:
undetectable
4yb6F-2wp8J:
undetectable		 4yb6B-2wp8J:
16.07
4yb6F-2wp8J:
16.07
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 322
 None
 1.08A 4yb6B-3bmwA:
undetectable
4yb6F-3bmwA:
undetectable		 4yb6B-3bmwA:
15.53
4yb6F-3bmwA:
15.53
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.
3i3g N-ACETYLTRANSFERASE

(Trypanosoma
brucei) 		PF00583
(Acetyltransf_1) 		5 HIS A  20
LEU A  12
GLY A  65
THR A  52
VAL A  89
 None
 0.98A 4yb6B-3i3gA:
undetectable
4yb6F-3i3gA:
undetectable		 4yb6B-3i3gA:
21.23
4yb6F-3i3gA:
21.23
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		5 LEU B 267
GLY B 246
VAL B 247
GLU B 296
VAL B 241
 None
 0.88A 4yb6B-3jb9B:
8.5
4yb6F-3jb9B:
undetectable		 4yb6B-3jb9B:
14.13
4yb6F-3jb9B:
14.13
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 362
LEU A 130
GLY A 182
GLU A 387
VAL A 183
 None
 1.18A 4yb6B-3k1dA:
undetectable
4yb6F-3k1dA:
undetectable		 4yb6B-3k1dA:
16.85
4yb6F-3k1dA:
16.85
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 221
GLY A 159
VAL A 158
THR A 183
VAL A 212
 None
GOL  A 414 ( 4.3A)
GOL  A 414 ( 4.7A)
GOL  A 414 (-3.5A)
GOL  A 414 (-3.9A)
 1.05A 4yb6B-3k5pA:
4.7
4yb6F-3k5pA:
6.1		 4yb6B-3k5pA:
21.80
4yb6F-3k5pA:
21.80
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 SER A 332
LEU A 336
VAL A 376
GLU A 374
VAL A 454
 None
None
None
PHE  A 509 (-3.6A)
None
 1.16A 4yb6B-3l4gA:
undetectable
4yb6F-3l4gA:
undetectable		 4yb6B-3l4gA:
20.63
4yb6F-3l4gA:
20.63
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 327
GLY A 353
GLU A 332
THR A 166
VAL A 355
 None
 0.99A 4yb6B-3ljpA:
undetectable
4yb6F-3ljpA:
undetectable		 4yb6B-3ljpA:
20.55
4yb6F-3ljpA:
20.55
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		5 LEU A  78
LEU A  22
GLY A   7
VAL A   6
VAL A  39
 None
 1.17A 4yb6B-3mtjA:
undetectable
4yb6F-3mtjA:
undetectable		 4yb6B-3mtjA:
22.61
4yb6F-3mtjA:
22.61
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.
3oaa ATP SYNTHASE SUBUNIT
BETA

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 LEU D 321
LEU D 162
GLY D 146
VAL D 145
VAL D 293
 None
 1.24A 4yb6B-3oaaD:
undetectable
4yb6F-3oaaD:
undetectable		 4yb6B-3oaaD:
23.45
4yb6F-3oaaD:
23.45
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 LEU A  84
LEU A  43
VAL A  72
THR A  80
VAL A  10
 None
 1.25A 4yb6B-3p0wA:
undetectable
4yb6F-3p0wA:
undetectable		 4yb6B-3p0wA:
22.13
4yb6F-3p0wA:
22.13
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 MET A 699
SER A 730
LEU A 710
GLY A 722
THR A 355
 None
 1.22A 4yb6B-3tlmA:
undetectable
4yb6F-3tlmA:
undetectable		 4yb6B-3tlmA:
15.91
4yb6F-3tlmA:
15.91
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 SER A 767
LEU A 727
GLY A 699
VAL A 700
VAL A 723
 None
 1.10A 4yb6B-3w5nA:
undetectable
4yb6F-3w5nA:
undetectable		 4yb6B-3w5nA:
14.30
4yb6F-3w5nA:
14.30
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A 208
LEU A 235
VAL A 248
THR A 196
VAL A 250
 None
 1.02A 4yb6B-3zpcA:
3.0
4yb6F-3zpcA:
undetectable		 4yb6B-3zpcA:
23.04
4yb6F-3zpcA:
23.04
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 HIS A 226
SER A 144
GLY A 101
VAL A 100
VAL A  99
 None
 1.16A 4yb6B-4ao7A:
undetectable
4yb6F-4ao7A:
undetectable		 4yb6B-4ao7A:
21.74
4yb6F-4ao7A:
21.74
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 LEU A 497
LEU A 570
GLY A 376
THR A 488
VAL A 378
 None
 0.93A 4yb6B-4btpA:
undetectable
4yb6F-4btpA:
undetectable		 4yb6B-4btpA:
18.11
4yb6F-4btpA:
18.11
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.
4bum VOLTAGE-DEPENDENT
ANION CHANNEL 2

(Danio rerio) 		PF01459
(Porin_3) 		5 LEU X  10
LEU X 125
GLY X 145
VAL X 144
VAL X 123
 None
 1.13A 4yb6B-4bumX:
undetectable
4yb6F-4bumX:
undetectable		 4yb6B-4bumX:
22.39
4yb6F-4bumX:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL4

(Sus scrofa) 		PF00573
(Ribosomal_L4) 		5 LEU F 269
LEU F 217
GLY F 247
THR F 265
VAL F 243
 None
 0.99A 4yb6B-4ce4F:
undetectable
4yb6F-4ce4F:
undetectable		 4yb6B-4ce4F:
19.67
4yb6F-4ce4F:
19.67
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.04A 4yb6B-4cgtA:
undetectable
4yb6F-4cgtA:
undetectable		 4yb6B-4cgtA:
17.31
4yb6F-4cgtA:
17.31
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.
4f0a PROTEIN WNT-8

(Xenopus laevis) 		PF00110
(wnt) 		5 LEU B  73
SER B 144
GLY B  47
VAL B  97
VAL B  44
 None
 1.31A 4yb6B-4f0aB:
undetectable
4yb6F-4f0aB:
undetectable		 4yb6B-4f0aB:
21.08
4yb6F-4f0aB:
21.08
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 LEU A 577
LEU A 581
GLY A 597
VAL A 610
VAL A 598
 None
 1.28A 4yb6B-4fnvA:
undetectable
4yb6F-4fnvA:
undetectable		 4yb6B-4fnvA:
15.91
4yb6F-4fnvA:
15.91
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.
4gj1 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Campylobacter
jejuni) 		PF00977
(His_biosynth) 		5 LEU A 214
GLY A 204
VAL A 205
THR A 171
VAL A 182
 None
 1.18A 4yb6B-4gj1A:
undetectable
4yb6F-4gj1A:
undetectable		 4yb6B-4gj1A:
23.10
4yb6F-4gj1A:
23.10
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.
4hkg PHOSPHOPANTETHEINE
ATTACHMENT SITE
FAMILY PROTEIN

(Acinetobacter
baumannii) 		PF00550
(PP-binding) 		5 LEU A  53
LEU A  72
GLY A  48
VAL A  46
THR A  54
 None
 1.17A 4yb6B-4hkgA:
undetectable
4yb6F-4hkgA:
undetectable		 4yb6B-4hkgA:
14.88
4yb6F-4hkgA:
14.88
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.
4hyy MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 LEU A 253
VAL A 266
GLU A 123
THR A 298
VAL A 264
 None
 1.25A 4yb6B-4hyyA:
undetectable
4yb6F-4hyyA:
undetectable		 4yb6B-4hyyA:
21.18
4yb6F-4hyyA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 LEU A 301
GLY A 331
VAL A 249
GLU A 247
VAL A 330
 None
 1.21A 4yb6B-4iikA:
undetectable
4yb6F-4iikA:
undetectable		 4yb6B-4iikA:
23.62
4yb6F-4iikA:
23.62
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Kitasatospora
aureofaciens;
Influenza A
virus) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 LEU A 335
LEU A 311
GLY A 344
THR A 339
VAL A 346
 None
 1.28A 4yb6B-4iq4A:
undetectable
4yb6F-4iq4A:
undetectable		 4yb6B-4iq4A:
21.43
4yb6F-4iq4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 LEU A 351
GLY A 355
VAL A 356
THR A 350
VAL A 322
 None
 1.07A 4yb6B-4jclA:
undetectable
4yb6F-4jclA:
undetectable		 4yb6B-4jclA:
17.47
4yb6F-4jclA:
17.47
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.
4k2h INTRACELLULAR
PROTEASE/AMIDASE

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 LEU A   8
LEU A  24
VAL A  68
THR A  33
VAL A   4
 None
 1.03A 4yb6B-4k2hA:
undetectable
4yb6F-4k2hA:
undetectable		 4yb6B-4k2hA:
21.14
4yb6F-4k2hA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		5 LEU A1157
GLY A1221
VAL A1223
THR A1181
VAL A1219
 None
 1.29A 4yb6B-4kegA:
2.4
4yb6F-4kegA:
1.8		 4yb6B-4kegA:
20.85
4yb6F-4kegA:
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.
4mo3 COAGULATION FACTOR
VIII

(Sus scrofa) 		PF00754
(F5_F8_type_C) 		5 LEU M2321
LEU M2234
GLY M2242
GLU M2322
VAL M2240
 None
 1.24A 4yb6B-4mo3M:
undetectable
4yb6F-4mo3M:
undetectable		 4yb6B-4mo3M:
19.53
4yb6F-4mo3M:
19.53
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.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 LEU B 542
GLY B 526
VAL B 420
THR B 550
VAL B 528
 EDO  B 701 ( 4.3A)
None
None
None
None
 1.28A 4yb6B-4ni2B:
3.8
4yb6F-4ni2B:
3.5		 4yb6B-4ni2B:
21.10
4yb6F-4ni2B:
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.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 LEU A 587
LEU A 492
GLY A 500
GLU A 588
VAL A 498
 None
 1.29A 4yb6B-4qdrA:
undetectable
4yb6F-4qdrA:
undetectable		 4yb6B-4qdrA:
21.43
4yb6F-4qdrA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A  23
LEU A  51
VAL A  90
THR A  21
VAL A  88
 None
 1.06A 4yb6B-4qmeA:
undetectable
4yb6F-4qmeA:
undetectable		 4yb6B-4qmeA:
17.88
4yb6F-4qmeA:
17.88
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.
4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG

(Homo sapiens) 		PF04049
(ANAPC8)
PF13181
(TPR_8)
PF13414
(TPR_11) 		5 LEU C 212
GLY C 176
VAL C 177
GLU C 208
VAL C 178
 None
 1.19A 4yb6B-4ui9C:
undetectable
4yb6F-4ui9C:
undetectable		 4yb6B-4ui9C:
21.39
4yb6F-4ui9C:
21.39
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.
4x22 TRIOSEPHOSPHATE
ISOMERASE

(Leptospira
interrogans) 		PF00121
(TIM) 		5 LEU A  23
SER A 246
LEU A 250
GLY A 239
VAL A 237
 None
 1.22A 4yb6B-4x22A:
undetectable
4yb6F-4x22A:
undetectable		 4yb6B-4x22A:
24.37
4yb6F-4x22A:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		5 HIS A  54
LEU A 108
SER A  53
LEU A   8
VAL A  67
 None
 1.22A 4yb6B-4x36A:
undetectable
4yb6F-4x36A:
undetectable		 4yb6B-4x36A:
22.86
4yb6F-4x36A:
22.86
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.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		5 LEU A 103
LEU A 239
GLY A 169
VAL A 170
VAL A 178
 None
 0.99A 4yb6B-4xuvA:
undetectable
4yb6F-4xuvA:
undetectable		 4yb6B-4xuvA:
21.30
4yb6F-4xuvA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 SER A 110
GLY A  99
VAL A 100
THR A 239
VAL A 121
 None
 1.09A 4yb6B-4y7dA:
undetectable
4yb6F-4y7dA:
undetectable		 4yb6B-4y7dA:
20.94
4yb6F-4y7dA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 GLY A 247
VAL A 248
GLU A 249
THR A 252
VAL A 268
 HIS  A 302 (-3.2A)
HIS  A 302 (-4.0A)
None
HIS  A 302 (-4.0A)
HIS  A 302 (-3.8A)
 0.08A 4yb6B-4yb6A:
38.7
4yb6F-4yb6A:
38.4		 4yb6B-4yb6A:
100.00
4yb6F-4yb6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 MET A 230
HIS A 232
LEU A 256
SER A 288
LEU A 290
 None
 0.03A 4yb6B-4yb6A:
38.7
4yb6F-4yb6A:
38.4		 4yb6B-4yb6A:
100.00
4yb6F-4yb6A:
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.
4yyq FICIN ISOFORM A

(Ficus carica) 		PF00112
(Peptidase_C1) 		5 MET A 192
LEU A 178
GLY A 206
VAL A 207
VAL A 135
 None
 1.16A 4yb6B-4yyqA:
undetectable
4yb6F-4yyqA:
undetectable		 4yb6B-4yyqA:
22.29
4yb6F-4yyqA:
22.29
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.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		5 LEU A 968
LEU A 904
GLY A 997
VAL A 998
VAL A 984
 None
 1.27A 4yb6B-5bp3A:
undetectable
4yb6F-5bp3A:
undetectable		 4yb6B-5bp3A:
21.79
4yb6F-5bp3A:
21.79
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.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 308
LEU A 300
GLY A 163
VAL A 164
VAL A   9
 None
 1.29A 4yb6B-5bqsA:
undetectable
4yb6F-5bqsA:
undetectable		 4yb6B-5bqsA:
23.40
4yb6F-5bqsA:
23.40
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.
5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH

(Thermus
thermophilus) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 SER A 145
LEU A 148
VAL A 127
GLU A 141
VAL A 123
 B12  A 300 (-3.0A)
None
B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
None
 1.16A 4yb6B-5c8aA:
undetectable
4yb6F-5c8aA:
undetectable		 4yb6B-5c8aA:
25.57
4yb6F-5c8aA:
25.57
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.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 LEU A  52
LEU A  28
GLY A  61
THR A  56
VAL A  63
 None
 1.29A 4yb6B-5cqeA:
undetectable
4yb6F-5cqeA:
undetectable		 4yb6B-5cqeA:
20.72
4yb6F-5cqeA:
20.72
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.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 LEU A 117
LEU A  38
VAL A  63
THR A  93
VAL A  65
 None
 1.20A 4yb6B-5dteA:
undetectable
4yb6F-5dteA:
2.0		 4yb6B-5dteA:
23.31
4yb6F-5dteA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 LEU A  84
GLY A  62
VAL A  94
THR A  66
VAL A 100
 None
 1.29A 4yb6B-5e7pA:
undetectable
4yb6F-5e7pA:
undetectable		 4yb6B-5e7pA:
17.96
4yb6F-5e7pA:
17.96
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.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		5 LEU A 233
GLY A 282
VAL A 283
GLU A 276
VAL A 244
 None
 1.09A 4yb6B-5exkA:
undetectable
4yb6F-5exkA:
undetectable		 4yb6B-5exkA:
22.50
4yb6F-5exkA:
22.50
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 LEU A  31
LEU A 216
GLY A  40
VAL A  41
VAL A 255
 None
 1.10A 4yb6B-5f83A:
undetectable
4yb6F-5f83A:
undetectable		 4yb6B-5f83A:
20.25
4yb6F-5f83A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 LEU A 501
LEU A 413
GLY A 495
GLU A 500
VAL A 493
 None
 1.28A 4yb6B-5fn4A:
undetectable
4yb6F-5fn4A:
undetectable		 4yb6B-5fn4A:
19.32
4yb6F-5fn4A:
19.32
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.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		5 LEU A  18
LEU A 160
GLY A  99
VAL A 100
THR A  16
 None
 1.22A 4yb6B-5g3pA:
undetectable
4yb6F-5g3pA:
undetectable		 4yb6B-5g3pA:
21.31
4yb6F-5g3pA:
21.31
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 LEU A 106
SER A 116
GLY A 113
VAL A 114
THR A 105
 None
 1.27A 4yb6B-5glgA:
undetectable
4yb6F-5glgA:
undetectable		 4yb6B-5glgA:
22.08
4yb6F-5glgA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 LEU A 368
LEU A 329
GLY A 365
VAL A 364
VAL A 363
 None
 1.15A 4yb6B-5h45A:
undetectable
4yb6F-5h45A:
undetectable		 4yb6B-5h45A:
22.95
4yb6F-5h45A:
22.95
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.
5iy6 GENERAL
TRANSCRIPTION FACTOR
IIF SUBUNIT 2

(Homo sapiens) 		PF02270
(TFIIF_beta) 		5 SER T 105
LEU T   7
GLY T  11
GLU T 107
THR T  94
 None
 1.30A 4yb6B-5iy6T:
undetectable
4yb6F-5iy6T:
undetectable		 4yb6B-5iy6T:
23.27
4yb6F-5iy6T:
23.27
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.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 LEU A  46
LEU A   8
GLY A 224
VAL A 225
VAL A 221
 None
 1.19A 4yb6B-5j7wA:
undetectable
4yb6F-5j7wA:
undetectable		 4yb6B-5j7wA:
22.51
4yb6F-5j7wA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 MET A  88
LEU A  75
LEU A  91
GLY A  72
VAL A 165
 None
 1.08A 4yb6B-5jxuA:
1.5
4yb6F-5jxuA:
1.0		 4yb6B-5jxuA:
20.25
4yb6F-5jxuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 450
SER A 434
LEU A 405
GLY A 402
VAL A 389
 None
 1.23A 4yb6B-5keiA:
undetectable
4yb6F-5keiA:
undetectable		 4yb6B-5keiA:
19.72
4yb6F-5keiA:
19.72
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.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Sulfolobus
solfataricus) 		no annotation 5 LEU A 155
GLY A 189
VAL A 188
THR A 135
VAL A 159
 None
None
None
None
CL  A 303 ( 4.4A)
 1.17A 4yb6B-5n2pA:
undetectable
4yb6F-5n2pA:
undetectable		 4yb6B-5n2pA:
undetectable
4yb6F-5n2pA:
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		5 LEU A 122
GLY A 216
VAL A 215
THR A 140
VAL A 185
 None
B12  A 802 (-3.6A)
None
None
None
 1.30A 4yb6B-5ul4A:
undetectable
4yb6F-5ul4A:
undetectable		 4yb6B-5ul4A:
20.00
4yb6F-5ul4A:
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 LEU A1009
LEU A 954
GLY A 983
VAL A 985
VAL A 981
 None
 1.20A 4yb6B-5ve8A:
undetectable
4yb6F-5ve8A:
undetectable		 4yb6B-5ve8A:
15.88
4yb6F-5ve8A:
15.88
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.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		5 HIS A 135
GLY A 421
VAL A 422
THR A 406
VAL A 409
 None
None
None
None
NAD  A 502 (-3.4A)
 1.05A 4yb6B-5vldA:
undetectable
4yb6F-5vldA:
undetectable		 4yb6B-5vldA:
22.10
4yb6F-5vldA:
22.10
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.
6aq3 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 3

(Naegleria
fowleri) 		PF04051
(TRAPP) 		5 LEU A  23
SER A 136
LEU A  48
GLY A  28
VAL A  31
 None
 1.09A 4yb6B-6aq3A:
undetectable
4yb6F-6aq3A:
undetectable		 4yb6B-6aq3A:
22.22
4yb6F-6aq3A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 HIS A 218
LEU A 221
GLY A 151
THR A 228
VAL A 150
 None
None
None
LMT  A1003 (-4.3A)
None
 1.26A 4yb6B-6bmsA:
undetectable
4yb6F-6bmsA:
undetectable		 4yb6B-6bmsA:
undetectable
4yb6F-6bmsA:
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.
6fn0 -

(-) 		no annotation 5 HIS A 268
LEU A 272
LEU A 293
GLY A 165
VAL A 161
 None
 0.97A 4yb6B-6fn0A:
undetectable
4yb6F-6fn0A:
undetectable		 4yb6B-6fn0A:
undetectable
4yb6F-6fn0A:
undetectable