SIMILAR PATTERNS OF AMINO ACIDS FOR 4YB6_A_HISA302

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 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 0.99A 4yb6A-1dedA:
0.0
4yb6E-1dedA:
0.0		 4yb6A-1dedA:
16.69
4yb6E-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) 		6 GLY A  84
VAL A 111
GLU A  79
VAL A  85
MET A  72
LEU A  73
 None
 1.41A 4yb6A-1epxA:
0.0
4yb6E-1epxA:
0.0		 4yb6A-1epxA:
24.22
4yb6E-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 GLY A  84
VAL A 111
VAL A  85
MET A  72
LEU A  73
 None
 1.31A 4yb6A-1f2jA:
0.0
4yb6E-1f2jA:
0.0		 4yb6A-1f2jA:
23.50
4yb6E-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 GLY A  48
VAL A  73
VAL A  50
LEU A  34
LEU A  84
 None
 1.20A 4yb6A-1frrA:
undetectable
4yb6E-1frrA:
undetectable		 4yb6A-1frrA:
15.33
4yb6E-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 GLY A 278
VAL A 277
VAL A 280
LEU A 272
LEU A 236
 None
 1.27A 4yb6A-1fsuA:
0.4
4yb6E-1fsuA:
0.4		 4yb6A-1fsuA:
19.96
4yb6E-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 GLY A 173
VAL A 172
GLU A 212
HIS A 180
SER A 185
 None
 1.29A 4yb6A-1gz0A:
undetectable
4yb6E-1gz0A:
undetectable		 4yb6A-1gz0A:
23.96
4yb6E-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 GLY A 173
VAL A 172
GLU A 212
SER A 185
LEU A 182
 None
 1.27A 4yb6A-1gz0A:
undetectable
4yb6E-1gz0A:
undetectable		 4yb6A-1gz0A:
23.96
4yb6E-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 GLY A  61
VAL A  60
VAL A  63
LEU A  21
LEU A  79
 None
 1.30A 4yb6A-1h4yA:
undetectable
4yb6E-1h4yA:
undetectable		 4yb6A-1h4yA:
17.61
4yb6E-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 VAL A 259
GLU A 240
VAL A 264
SER A 210
LEU A 214
 None
 1.07A 4yb6A-1ic8A:
undetectable
4yb6E-1ic8A:
0.0		 4yb6A-1ic8A:
20.75
4yb6E-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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 GLY A 366
VAL A 367
GLU A 368
THR A 372
VAL A 364
 None
 1.32A 4yb6A-1ii2A:
0.0
4yb6E-1ii2A:
0.0		 4yb6A-1ii2A:
22.41
4yb6E-1ii2A:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.09A 4yb6A-1kclA:
undetectable
4yb6E-1kclA:
undetectable		 4yb6A-1kclA:
19.67
4yb6E-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 GLY A 162
VAL A 160
HIS A 182
LEU A 144
SER A 180
 None
 1.20A 4yb6A-1nffA:
undetectable
4yb6E-1nffA:
undetectable		 4yb6A-1nffA:
20.13
4yb6E-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 VAL A 235
VAL A 252
MET A   1
LEU A 218
LEU A 285
 None
 0.97A 4yb6A-1nrwA:
undetectable
4yb6E-1nrwA:
undetectable		 4yb6A-1nrwA:
23.85
4yb6E-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 GLY A 193
VAL A 194
VAL A 112
LEU A 147
LEU A  40
 None
 1.11A 4yb6A-1oqvA:
undetectable
4yb6E-1oqvA:
undetectable		 4yb6A-1oqvA:
20.20
4yb6E-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 GLY A 802
VAL A 801
VAL A 805
LEU A 791
LEU A 830
 None
 1.27A 4yb6A-1pzdA:
undetectable
4yb6E-1pzdA:
undetectable		 4yb6A-1pzdA:
21.16
4yb6E-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 GLY A 426
VAL A 425
VAL A 428
LEU A 420
SER A 358
 None
 1.27A 4yb6A-1qu7A:
undetectable
4yb6E-1qu7A:
undetectable		 4yb6A-1qu7A:
23.30
4yb6E-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 GLY A 430
VAL A 456
THR A 378
SER A 356
LEU A 360
 None
 1.20A 4yb6A-1r9jA:
undetectable
4yb6E-1r9jA:
undetectable		 4yb6A-1r9jA:
19.76
4yb6E-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 VAL A 680
THR A 578
VAL A 689
LEU A 582
LEU A 598
 None
 1.25A 4yb6A-1rtkA:
undetectable
4yb6E-1rtkA:
undetectable		 4yb6A-1rtkA:
20.12
4yb6E-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 VAL A 266
GLU A 123
THR A 298
VAL A 264
LEU A 253
 None
 1.28A 4yb6A-1v5wA:
undetectable
4yb6E-1v5wA:
undetectable		 4yb6A-1v5wA:
21.79
4yb6E-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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 252
THR A 206
VAL A 251
LEU A 203
LEU A  60
 None
 1.24A 4yb6A-1xp4A:
undetectable
4yb6E-1xp4A:
undetectable		 4yb6A-1xp4A:
22.47
4yb6E-1xp4A:
22.47
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 GLY A  29
GLU A  70
VAL A  26
SER A  73
LEU A  60
 None
 1.27A 4yb6A-1zmrA:
undetectable
4yb6E-1zmrA:
undetectable		 4yb6A-1zmrA:
23.57
4yb6E-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 GLU B 122
VAL B 125
LEU B  96
SER B 119
LEU B 133
 None
 1.28A 4yb6A-2amcB:
5.8
4yb6E-2amcB:
5.8		 4yb6A-2amcB:
19.48
4yb6E-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 GLY A  95
VAL A 171
MET A 179
LEU A 103
LEU A 186
 None
 1.30A 4yb6A-2au1A:
undetectable
4yb6E-2au1A:
undetectable		 4yb6A-2au1A:
21.81
4yb6E-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 GLY A 108
VAL A 109
VAL A  82
HIS A 222
SER A 266
 None
 1.08A 4yb6A-2cevA:
undetectable
4yb6E-2cevA:
undetectable		 4yb6A-2cevA:
25.84
4yb6E-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.
2gn4 UDP-GLCNAC C6
DEHYDRATASE

(Helicobacter
pylori) 		PF02719
(Polysacc_synt_2) 		5 GLY A 176
VAL A 175
VAL A 182
MET A 239
LEU A 242
 None
None
None
UD1  A 335 (-3.2A)
None
 1.17A 4yb6A-2gn4A:
undetectable
4yb6E-2gn4A:
undetectable		 4yb6A-2gn4A:
23.45
4yb6E-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 GLY A 154
VAL A 153
GLU A 156
SER A  90
LEU A 245
 None
 1.18A 4yb6A-2gp6A:
undetectable
4yb6E-2gp6A:
undetectable		 4yb6A-2gp6A:
20.85
4yb6E-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 GLY A 154
VAL A 153
LEU A 107
SER A  90
LEU A 245
 None
 1.17A 4yb6A-2gp6A:
undetectable
4yb6E-2gp6A:
undetectable		 4yb6A-2gp6A:
20.85
4yb6E-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
 1.27A 4yb6A-2greA:
undetectable
4yb6E-2greA:
undetectable		 4yb6A-2greA:
22.41
4yb6E-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 GLY A 161
VAL A 159
HIS A 181
LEU A 143
SER A 179
 None
 1.26A 4yb6A-2hsdA:
undetectable
4yb6E-2hsdA:
undetectable		 4yb6A-2hsdA:
20.39
4yb6E-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 GLY A 149
VAL A 128
VAL A 147
LEU A 177
LEU A 141
 None
 1.30A 4yb6A-2ogxA:
undetectable
4yb6E-2ogxA:
undetectable		 4yb6A-2ogxA:
22.82
4yb6E-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 GLY A 276
VAL A 209
VAL A 274
HIS A 285
LEU A 268
 None
None
None
FAD  A 701 (-3.9A)
None
 1.26A 4yb6A-2panA:
undetectable
4yb6E-2panA:
undetectable		 4yb6A-2panA:
19.43
4yb6E-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 GLY A 179
VAL A 177
VAL A 178
LEU A 143
LEU A 162
 None
 1.26A 4yb6A-2qe6A:
undetectable
4yb6E-2qe6A:
undetectable		 4yb6A-2qe6A:
23.31
4yb6E-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 GLY A 379
VAL A 378
THR A 365
VAL A 361
LEU A 355
 None
 1.30A 4yb6A-2qkxA:
undetectable
4yb6E-2qkxA:
undetectable		 4yb6A-2qkxA:
21.22
4yb6E-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 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.28A 4yb6A-2qqkA:
undetectable
4yb6E-2qqkA:
undetectable		 4yb6A-2qqkA:
20.92
4yb6E-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 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.28A 4yb6A-2qqoA:
undetectable
4yb6E-2qqoA:
undetectable		 4yb6A-2qqoA:
21.41
4yb6E-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 GLY A  52
VAL A  51
VAL A 131
LEU A  16
LEU A  95
 None
 1.17A 4yb6A-2v4yA:
undetectable
4yb6E-2v4yA:
undetectable		 4yb6A-2v4yA:
24.84
4yb6E-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 GLY H  61
VAL H  77
THR H  40
VAL H  63
LEU H  92
 None
 1.04A 4yb6A-2w6jH:
undetectable
4yb6E-2w6jH:
undetectable		 4yb6A-2w6jH:
20.13
4yb6E-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 GLY J 934
VAL J 935
GLU J 900
VAL J 930
LEU J 998
 None
 1.26A 4yb6A-2wp8J:
undetectable
4yb6E-2wp8J:
undetectable		 4yb6A-2wp8J:
16.07
4yb6E-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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 GLY A 154
VAL A 153
THR A 279
VAL A 286
LEU A 311
 None
None
GOL  A 383 (-3.7A)
None
None
 1.22A 4yb6A-3allA:
undetectable
4yb6E-3allA:
undetectable		 4yb6A-3allA:
23.31
4yb6E-3allA:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 354
VAL A 355
THR A 349
VAL A 322
LEU A 350
 None
 1.08A 4yb6A-3bmwA:
undetectable
4yb6E-3bmwA:
undetectable		 4yb6A-3bmwA:
15.53
4yb6E-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 GLY A  65
THR A  52
VAL A  89
HIS A  20
LEU A  12
 None
 0.99A 4yb6A-3i3gA:
undetectable
4yb6E-3i3gA:
undetectable		 4yb6A-3i3gA:
21.23
4yb6E-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 GLY B 246
VAL B 247
GLU B 296
VAL B 241
LEU B 267
 None
 0.89A 4yb6A-3jb9B:
8.4
4yb6E-3jb9B:
8.5		 4yb6A-3jb9B:
14.13
4yb6E-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 GLY A 182
GLU A 387
VAL A 183
LEU A 362
LEU A 130
 None
 1.20A 4yb6A-3k1dA:
undetectable
4yb6E-3k1dA:
undetectable		 4yb6A-3k1dA:
16.85
4yb6E-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 GLY A 159
VAL A 158
THR A 183
VAL A 212
LEU A 221
 GOL  A 414 ( 4.3A)
GOL  A 414 ( 4.7A)
GOL  A 414 (-3.5A)
GOL  A 414 (-3.9A)
None
 1.04A 4yb6A-3k5pA:
6.3
4yb6E-3k5pA:
6.1		 4yb6A-3k5pA:
21.80
4yb6E-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 VAL A 376
GLU A 374
THR A 413
VAL A 454
SER A 332
 None
PHE  A 509 (-3.6A)
PHE  A 509 (-3.7A)
None
None
 1.25A 4yb6A-3l4gA:
undetectable
4yb6E-3l4gA:
undetectable		 4yb6A-3l4gA:
20.63
4yb6E-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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 VAL A 376
GLU A 374
VAL A 454
SER A 332
LEU A 336
 None
PHE  A 509 (-3.6A)
None
None
None
 1.14A 4yb6A-3l4gA:
undetectable
4yb6E-3l4gA:
undetectable		 4yb6A-3l4gA:
20.63
4yb6E-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 GLY A 353
GLU A 332
THR A 166
VAL A 355
SER A 327
 None
 0.98A 4yb6A-3ljpA:
undetectable
4yb6E-3ljpA:
undetectable		 4yb6A-3ljpA:
20.55
4yb6E-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 GLY A   7
VAL A   6
VAL A  39
LEU A  78
LEU A  22
 None
 1.17A 4yb6A-3mtjA:
undetectable
4yb6E-3mtjA:
undetectable		 4yb6A-3mtjA:
22.61
4yb6E-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 GLY D 146
VAL D 145
VAL D 293
LEU D 321
LEU D 162
 None
 1.24A 4yb6A-3oaaD:
undetectable
4yb6E-3oaaD:
undetectable		 4yb6A-3oaaD:
23.45
4yb6E-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 VAL A  72
THR A  80
VAL A  10
LEU A  84
LEU A  43
 None
 1.26A 4yb6A-3p0wA:
undetectable
4yb6E-3p0wA:
undetectable		 4yb6A-3p0wA:
22.13
4yb6E-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 GLY A 722
THR A 355
MET A 699
SER A 730
LEU A 710
 None
 1.21A 4yb6A-3tlmA:
undetectable
4yb6E-3tlmA:
undetectable		 4yb6A-3tlmA:
15.91
4yb6E-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 GLY A 699
VAL A 700
VAL A 723
SER A 767
LEU A 727
 None
 1.09A 4yb6A-3w5nA:
undetectable
4yb6E-3w5nA:
undetectable		 4yb6A-3w5nA:
14.30
4yb6E-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 VAL A 248
THR A 196
VAL A 250
LEU A 208
LEU A 235
 None
 1.02A 4yb6A-3zpcA:
2.8
4yb6E-3zpcA:
2.7		 4yb6A-3zpcA:
23.04
4yb6E-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 GLY A 101
VAL A 100
VAL A  99
HIS A 226
SER A 144
 None
 1.16A 4yb6A-4ao7A:
undetectable
4yb6E-4ao7A:
undetectable		 4yb6A-4ao7A:
21.74
4yb6E-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 GLY A 376
THR A 488
VAL A 378
LEU A 497
LEU A 570
 None
 0.91A 4yb6A-4btpA:
undetectable
4yb6E-4btpA:
undetectable		 4yb6A-4btpA:
18.11
4yb6E-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.
4ce4 MRPL4

(Sus scrofa) 		PF00573
(Ribosomal_L4) 		5 GLY F 247
THR F 265
VAL F 243
LEU F 269
LEU F 217
 None
 1.00A 4yb6A-4ce4F:
undetectable
4yb6E-4ce4F:
undetectable		 4yb6A-4ce4F:
19.67
4yb6E-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 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.04A 4yb6A-4cgtA:
undetectable
4yb6E-4cgtA:
undetectable		 4yb6A-4cgtA:
17.31
4yb6E-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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 GLY A 597
VAL A 610
VAL A 598
LEU A 577
LEU A 581
 None
 1.28A 4yb6A-4fnvA:
undetectable
4yb6E-4fnvA:
undetectable		 4yb6A-4fnvA:
15.91
4yb6E-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 GLY A 204
VAL A 205
THR A 171
VAL A 182
LEU A 214
 None
 1.20A 4yb6A-4gj1A:
undetectable
4yb6E-4gj1A:
undetectable		 4yb6A-4gj1A:
23.10
4yb6E-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 GLY A  48
VAL A  46
THR A  54
LEU A  53
LEU A  72
 None
 1.16A 4yb6A-4hkgA:
undetectable
4yb6E-4hkgA:
undetectable		 4yb6A-4hkgA:
14.88
4yb6E-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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 GLY A 331
VAL A 249
GLU A 247
VAL A 330
LEU A 301
 None
 1.19A 4yb6A-4iikA:
undetectable
4yb6E-4iikA:
undetectable		 4yb6A-4iikA:
23.62
4yb6E-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 GLY A 344
THR A 339
VAL A 346
LEU A 335
LEU A 311
 None
 1.31A 4yb6A-4iq4A:
undetectable
4yb6E-4iq4A:
undetectable		 4yb6A-4iq4A:
21.43
4yb6E-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 GLY A 355
VAL A 356
THR A 350
VAL A 322
LEU A 351
 None
 1.07A 4yb6A-4jclA:
undetectable
4yb6E-4jclA:
undetectable		 4yb6A-4jclA:
17.47
4yb6E-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 VAL A  68
THR A  33
VAL A   4
LEU A   8
LEU A  24
 None
 1.04A 4yb6A-4k2hA:
undetectable
4yb6E-4k2hA:
undetectable		 4yb6A-4k2hA:
21.14
4yb6E-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 GLY A1221
VAL A1223
THR A1181
VAL A1219
LEU A1157
 None
 1.29A 4yb6A-4kegA:
2.1
4yb6E-4kegA:
2.2		 4yb6A-4kegA:
20.85
4yb6E-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 GLY M2242
GLU M2322
VAL M2240
LEU M2321
LEU M2234
 None
 1.22A 4yb6A-4mo3M:
undetectable
4yb6E-4mo3M:
undetectable		 4yb6A-4mo3M:
19.53
4yb6E-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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 GLY A 281
VAL A 282
THR A 277
MET A 141
SER A 143
 None
 1.31A 4yb6A-4mt1A:
4.0
4yb6E-4mt1A:
4.2		 4yb6A-4mt1A:
14.02
4yb6E-4mt1A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY B 526
VAL B 420
THR B 550
VAL B 528
LEU B 542
 None
None
None
None
EDO  B 701 ( 4.3A)
 1.28A 4yb6A-4ni2B:
3.8
4yb6E-4ni2B:
3.6		 4yb6A-4ni2B:
21.10
4yb6E-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 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.27A 4yb6A-4qdrA:
undetectable
4yb6E-4qdrA:
undetectable		 4yb6A-4qdrA:
21.43
4yb6E-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 VAL A  90
THR A  21
VAL A  88
LEU A  23
LEU A  51
 None
 1.06A 4yb6A-4qmeA:
undetectable
4yb6E-4qmeA:
undetectable		 4yb6A-4qmeA:
17.88
4yb6E-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 GLY C 176
VAL C 177
GLU C 208
VAL C 178
LEU C 212
 None
 1.18A 4yb6A-4ui9C:
undetectable
4yb6E-4ui9C:
undetectable		 4yb6A-4ui9C:
21.39
4yb6E-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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 GLY A  47
VAL A  49
LEU A 311
SER A 249
LEU A 250
 None
 1.18A 4yb6A-4wd2A:
undetectable
4yb6E-4wd2A:
undetectable		 4yb6A-4wd2A:
22.88
4yb6E-4wd2A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x22 TRIOSEPHOSPHATE
ISOMERASE

(Leptospira
interrogans) 		PF00121
(TIM) 		5 GLY A 239
VAL A 237
LEU A  23
SER A 246
LEU A 250
 None
 1.23A 4yb6A-4x22A:
undetectable
4yb6E-4x22A:
undetectable		 4yb6A-4x22A:
24.37
4yb6E-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 VAL A  67
HIS A  54
LEU A 108
SER A  53
LEU A   8
 None
 1.21A 4yb6A-4x36A:
undetectable
4yb6E-4x36A:
undetectable		 4yb6A-4x36A:
22.86
4yb6E-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 GLY A 169
VAL A 170
VAL A 178
LEU A 103
LEU A 239
 None
 1.01A 4yb6A-4xuvA:
undetectable
4yb6E-4xuvA:
undetectable		 4yb6A-4xuvA:
21.30
4yb6E-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 GLY A  99
VAL A 100
THR A 239
VAL A 121
SER A 110
 None
 1.09A 4yb6A-4y7dA:
undetectable
4yb6E-4y7dA:
undetectable		 4yb6A-4y7dA:
20.94
4yb6E-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)
 0.00A 4yb6A-4yb6A:
40.8
4yb6E-4yb6A:
39.1		 4yb6A-4yb6A:
100.00
4yb6E-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
 0.04A 4yb6A-4yb6A:
40.8
4yb6E-4yb6A:
39.1		 4yb6A-4yb6A:
100.00
4yb6E-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 GLY A 206
VAL A 207
VAL A 135
MET A 192
LEU A 178
 None
 1.16A 4yb6A-4yyqA:
undetectable
4yb6E-4yyqA:
undetectable		 4yb6A-4yyqA:
22.29
4yb6E-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 GLY A 997
VAL A 998
VAL A 984
LEU A 968
LEU A 904
 None
 1.26A 4yb6A-5bp3A:
undetectable
4yb6E-5bp3A:
undetectable		 4yb6A-5bp3A:
21.79
4yb6E-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 GLY A 163
VAL A 164
VAL A   9
LEU A 308
LEU A 300
 None
 1.29A 4yb6A-5bqsA:
undetectable
4yb6E-5bqsA:
undetectable		 4yb6A-5bqsA:
23.40
4yb6E-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 VAL A 127
GLU A 141
VAL A 123
SER A 145
LEU A 148
 B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
None
B12  A 300 (-3.0A)
None
 1.14A 4yb6A-5c8aA:
undetectable
4yb6E-5c8aA:
undetectable		 4yb6A-5c8aA:
25.57
4yb6E-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.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 VAL A  63
THR A  93
VAL A  65
LEU A 117
LEU A  38
 None
 1.22A 4yb6A-5dteA:
1.8
4yb6E-5dteA:
undetectable		 4yb6A-5dteA:
23.31
4yb6E-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 GLY A  62
VAL A  94
THR A  66
VAL A 100
LEU A  84
 None
 1.27A 4yb6A-5e7pA:
undetectable
4yb6E-5e7pA:
undetectable		 4yb6A-5e7pA:
17.96
4yb6E-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 GLY A 282
VAL A 283
GLU A 276
VAL A 244
LEU A 233
 None
 1.12A 4yb6A-5exkA:
undetectable
4yb6E-5exkA:
undetectable		 4yb6A-5exkA:
22.50
4yb6E-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 GLY A  40
VAL A  41
VAL A 255
LEU A  31
LEU A 216
 None
 1.10A 4yb6A-5f83A:
undetectable
4yb6E-5f83A:
undetectable		 4yb6A-5f83A:
20.25
4yb6E-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 GLY A 495
GLU A 500
VAL A 493
LEU A 501
LEU A 413
 None
 1.26A 4yb6A-5fn4A:
undetectable
4yb6E-5fn4A:
undetectable		 4yb6A-5fn4A:
19.32
4yb6E-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 GLY A  99
VAL A 100
THR A  16
LEU A  18
LEU A 160
 None
 1.22A 4yb6A-5g3pA:
undetectable
4yb6E-5g3pA:
undetectable		 4yb6A-5g3pA:
21.31
4yb6E-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.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 GLY A 365
VAL A 364
VAL A 363
LEU A 368
LEU A 329
 None
 1.16A 4yb6A-5h45A:
undetectable
4yb6E-5h45A:
undetectable		 4yb6A-5h45A:
22.95
4yb6E-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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 437
VAL A 463
THR A 381
SER A 359
LEU A 363
 None
 1.16A 4yb6A-5i51A:
undetectable
4yb6E-5i51A:
undetectable		 4yb6A-5i51A:
20.24
4yb6E-5i51A:
20.24
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.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 GLY A 224
VAL A 225
VAL A 221
LEU A  46
LEU A   8
 None
 1.19A 4yb6A-5j7wA:
undetectable
4yb6E-5j7wA:
undetectable		 4yb6A-5j7wA:
22.51
4yb6E-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 GLY A  72
VAL A 165
MET A  88
LEU A  75
LEU A  91
 None
 1.07A 4yb6A-5jxuA:
1.5
4yb6E-5jxuA:
1.5		 4yb6A-5jxuA:
20.25
4yb6E-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.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Sulfolobus
solfataricus) 		no annotation 5 GLY A 189
VAL A 188
THR A 135
VAL A 159
LEU A 155
 None
None
None
CL  A 303 ( 4.4A)
None
 1.18A 4yb6A-5n2pA:
undetectable
4yb6E-5n2pA:
undetectable		 4yb6A-5n2pA:
undetectable
4yb6E-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 GLY A 216
VAL A 215
THR A 140
VAL A 185
LEU A 122
 B12  A 802 (-3.6A)
None
None
None
None
 1.32A 4yb6A-5ul4A:
undetectable
4yb6E-5ul4A:
undetectable		 4yb6A-5ul4A:
20.00
4yb6E-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 GLY A 983
VAL A 985
VAL A 981
LEU A1009
LEU A 954
 None
 1.20A 4yb6A-5ve8A:
undetectable
4yb6E-5ve8A:
undetectable		 4yb6A-5ve8A:
15.88
4yb6E-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 GLY A 421
VAL A 422
THR A 406
VAL A 409
HIS A 135
 None
None
None
NAD  A 502 (-3.4A)
None
 1.04A 4yb6A-5vldA:
undetectable
4yb6E-5vldA:
undetectable		 4yb6A-5vldA:
22.10
4yb6E-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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 158
THR A 155
LEU A 531
SER A 562
LEU A 114
 None
 1.31A 4yb6A-5z9sA:
undetectable
4yb6E-5z9sA:
undetectable		 4yb6A-5z9sA:
undetectable
4yb6E-5z9sA:
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.
6aq3 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 3

(Naegleria
fowleri) 		PF04051
(TRAPP) 		5 GLY A  28
VAL A  31
LEU A  23
SER A 136
LEU A  48
 None
 1.10A 4yb6A-6aq3A:
undetectable
4yb6E-6aq3A:
undetectable		 4yb6A-6aq3A:
22.22
4yb6E-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 GLY A 151
THR A 228
VAL A 150
HIS A 218
LEU A 221
 None
LMT  A1003 (-4.3A)
None
None
None
 1.25A 4yb6A-6bmsA:
undetectable
4yb6E-6bmsA:
undetectable		 4yb6A-6bmsA:
undetectable
4yb6E-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 GLY A 165
VAL A 161
HIS A 268
LEU A 272
LEU A 293
 None
 0.97A 4yb6A-6fn0A:
undetectable
4yb6E-6fn0A:
undetectable		 4yb6A-6fn0A:
undetectable
4yb6E-6fn0A:
undetectable