SIMILAR PATTERNS OF AMINO ACIDS FOR 4YB6_E_HISE302_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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		5 HIS A 455
LEU A 400
SER A 457
GLY A 731
VAL A 730
 None
 1.34A 4yb6D-1d0nA:
0.0
4yb6E-1d0nA:
0.0		 4yb6D-1d0nA:
17.51
4yb6E-1d0nA:
17.51
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.
1dce PROTEIN (RAB
GERANYLGERANYLTRANSF
ERASE ALPHA SUBUNIT)

(Rattus
norvegicus) 		PF01239
(PPTA)
PF07711
(RabGGT_insert) 		5 LEU A 456
LEU A 513
GLY A 503
VAL A 501
VAL A 504
 None
 1.22A 4yb6D-1dceA:
undetectable
4yb6E-1dceA:
undetectable		 4yb6D-1dceA:
20.70
4yb6E-1dceA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 4yb6D-1dedA:
0.0
4yb6E-1dedA:
0.0		 4yb6D-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) 		5 MET A  72
LEU A  73
GLY A  84
GLU A  79
VAL A  85
 None
 1.33A 4yb6D-1epxA:
0.0
4yb6E-1epxA:
0.0		 4yb6D-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.
1frr FERREDOXIN I

(Equisetum
arvense) 		PF00111
(Fer2) 		5 LEU A  34
LEU A  84
VAL A  73
THR A  88
VAL A  50
 None
 1.33A 4yb6D-1frrA:
undetectable
4yb6E-1frrA:
undetectable		 4yb6D-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.
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
 1.08A 4yb6D-1ic8A:
0.0
4yb6E-1ic8A:
0.0		 4yb6D-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
 1.28A 4yb6D-1ii2A:
undetectable
4yb6E-1ii2A:
0.0		 4yb6D-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 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.06A 4yb6D-1kclA:
0.0
4yb6E-1kclA:
0.0		 4yb6D-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 HIS A 182
LEU A 144
SER A 180
GLY A 162
VAL A 160
 None
 1.20A 4yb6D-1nffA:
0.0
4yb6E-1nffA:
0.0		 4yb6D-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 MET A   1
LEU A 218
LEU A 285
VAL A 235
VAL A 252
 None
 1.00A 4yb6D-1nrwA:
undetectable
4yb6E-1nrwA:
undetectable		 4yb6D-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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 486
SER A 450
LEU A 454
THR A 483
VAL A 478
 None
 1.09A 4yb6D-1pcgA:
undetectable
4yb6E-1pcgA:
undetectable		 4yb6D-1pcgA:
25.63
4yb6E-1pcgA:
25.63
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.
1pjz THIOPURINE
S-METHYLTRANSFERASE

(Pseudomonas
syringae) 		PF05724
(TPMT) 		5 LEU A 139
LEU A 135
GLY A 172
THR A 138
VAL A 171
 None
 1.35A 4yb6D-1pjzA:
undetectable
4yb6E-1pjzA:
undetectable		 4yb6D-1pjzA:
20.97
4yb6E-1pjzA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 4yb6D-1r9jA:
2.1
4yb6E-1r9jA:
undetectable		 4yb6D-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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 SER A  73
LEU A  60
GLY A  29
GLU A  70
VAL A  26
 None
 1.26A 4yb6D-1zmrA:
undetectable
4yb6E-1zmrA:
undetectable		 4yb6D-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 LEU B  96
SER B 119
LEU B 133
GLU B 122
VAL B 125
 None
 1.27A 4yb6D-2amcB:
5.8
4yb6E-2amcB:
5.8		 4yb6D-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 MET A 179
LEU A 103
LEU A 186
GLY A  95
VAL A 171
 None
 1.29A 4yb6D-2au1A:
undetectable
4yb6E-2au1A:
undetectable		 4yb6D-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 HIS A 222
SER A 266
GLY A 108
VAL A 109
VAL A  82
 None
 1.19A 4yb6D-2cevA:
undetectable
4yb6E-2cevA:
undetectable		 4yb6D-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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 LEU A 178
GLY A 250
VAL A 246
GLU A 247
VAL A 249
 None
 1.20A 4yb6D-2dfuA:
undetectable
4yb6E-2dfuA:
undetectable		 4yb6D-2dfuA:
22.58
4yb6E-2dfuA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 4yb6D-2gmnA:
undetectable
4yb6E-2gmnA:
undetectable		 4yb6D-2gmnA:
23.48
4yb6E-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
 1.23A 4yb6D-2gn4A:
undetectable
4yb6E-2gn4A:
undetectable		 4yb6D-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 LEU A 107
SER A  90
LEU A 245
GLY A 154
VAL A 153
 None
 1.09A 4yb6D-2gp6A:
undetectable
4yb6E-2gp6A:
0.6		 4yb6D-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 SER A  90
LEU A 245
GLY A 154
VAL A 153
GLU A 156
 None
 1.14A 4yb6D-2gp6A:
undetectable
4yb6E-2gp6A:
0.6		 4yb6D-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.
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 4yb6D-2hsdA:
undetectable
4yb6E-2hsdA:
undetectable		 4yb6D-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.
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
 1.34A 4yb6D-2qkxA:
undetectable
4yb6E-2qkxA:
undetectable		 4yb6D-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 LEU A 587
LEU A 492
GLY A 500
GLU A 588
VAL A 498
 None
 1.29A 4yb6D-2qqkA:
undetectable
4yb6E-2qqkA:
undetectable		 4yb6D-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 LEU A 587
LEU A 492
GLY A 500
GLU A 588
VAL A 498
 None
 1.29A 4yb6D-2qqoA:
undetectable
4yb6E-2qqoA:
undetectable		 4yb6D-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 LEU A  16
LEU A  95
GLY A  52
VAL A  51
VAL A 131
 None
 1.21A 4yb6D-2v4yA:
undetectable
4yb6E-2v4yA:
undetectable		 4yb6D-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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  36
VAL A 133
GLU A 130
THR A 125
VAL A 156
 None
 1.32A 4yb6D-2vosA:
undetectable
4yb6E-2vosA:
undetectable		 4yb6D-2vosA:
20.65
4yb6E-2vosA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LEU A 318
LEU A 282
GLY A 245
VAL A 244
THR A 324
 None
 1.35A 4yb6D-2xe5A:
undetectable
4yb6E-2xe5A:
undetectable		 4yb6D-2xe5A:
22.43
4yb6E-2xe5A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4yb6D-3bmwA:
undetectable
4yb6E-3bmwA:
undetectable		 4yb6D-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.
3cgw LPPG:FO
2-PHOSPHO-L-LACTATE
TRANSFERASE

(Methanosarcina
mazei) 		PF01933
(UPF0052) 		5 SER A 130
LEU A 204
GLY A 167
VAL A 134
VAL A 168
 None
 1.32A 4yb6D-3cgwA:
undetectable
4yb6E-3cgwA:
undetectable		 4yb6D-3cgwA:
21.47
4yb6E-3cgwA:
21.47
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 LEU A 357
GLY A 321
VAL A 322
THR A 377
VAL A 352
 None
 1.33A 4yb6D-3cmgA:
undetectable
4yb6E-3cmgA:
undetectable		 4yb6D-3cmgA:
20.18
4yb6E-3cmgA:
20.18
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.
3h5c VITAMIN K-DEPENDENT
PROTEIN Z

(Homo sapiens) 		PF00008
(EGF)
PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		5 LEU B 222
GLY B 329
VAL B 330
THR B 299
VAL B 348
 None
 1.22A 4yb6D-3h5cB:
undetectable
4yb6E-3h5cB:
undetectable		 4yb6D-3h5cB:
20.00
4yb6E-3h5cB:
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.
3h5c VITAMIN K-DEPENDENT
PROTEIN Z

(Homo sapiens) 		PF00008
(EGF)
PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		5 LEU B 344
LEU B 222
GLY B 329
VAL B 330
THR B 299
 None
 1.18A 4yb6D-3h5cB:
undetectable
4yb6E-3h5cB:
undetectable		 4yb6D-3h5cB:
20.00
4yb6E-3h5cB:
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.
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 4yb6D-3i3gA:
undetectable
4yb6E-3i3gA:
undetectable		 4yb6D-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.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		5 LEU A  99
GLY A  57
VAL A  93
THR A  77
VAL A  59
 None
 1.33A 4yb6D-3it7A:
undetectable
4yb6E-3it7A:
undetectable		 4yb6D-3it7A:
18.69
4yb6E-3it7A:
18.69
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.
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
 0.98A 4yb6D-3jb9B:
8.4
4yb6E-3jb9B:
8.5		 4yb6D-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 LEU A 362
LEU A 130
GLY A 182
GLU A 387
VAL A 183
 None
 1.19A 4yb6D-3k1dA:
undetectable
4yb6E-3k1dA:
undetectable		 4yb6D-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.
3k2z LEXA REPRESSOR

(Thermotoga
maritima) 		PF00717
(Peptidase_S24)
PF01726
(LexA_DNA_bind) 		5 MET A 120
LEU A 155
GLY A 192
VAL A 131
VAL A 190
 None
 1.31A 4yb6D-3k2zA:
undetectable
4yb6E-3k2zA:
undetectable		 4yb6D-3k2zA:
22.48
4yb6E-3k2zA:
22.48
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 LEU A 323
SER A 330
GLU A 253
THR A 276
VAL A 356
 None
 1.22A 4yb6D-3l4gA:
undetectable
4yb6E-3l4gA:
undetectable		 4yb6D-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 SER A 332
LEU A 336
VAL A 376
GLU A 374
VAL A 454
 None
None
None
PHE  A 509 (-3.6A)
None
 1.13A 4yb6D-3l4gA:
undetectable
4yb6E-3l4gA:
undetectable		 4yb6D-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 SER A 332
VAL A 376
GLU A 374
THR A 413
VAL A 454
 None
None
PHE  A 509 (-3.6A)
PHE  A 509 (-3.7A)
None
 1.25A 4yb6D-3l4gA:
undetectable
4yb6E-3l4gA:
undetectable		 4yb6D-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 SER A 327
GLY A 353
GLU A 332
THR A 166
VAL A 355
 None
 0.96A 4yb6D-3ljpA:
undetectable
4yb6E-3ljpA:
undetectable		 4yb6D-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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 LEU A 555
SER A 542
LEU A 539
GLY A 588
VAL A 587
 None
 1.35A 4yb6D-3m62A:
undetectable
4yb6E-3m62A:
undetectable		 4yb6D-3m62A:
15.46
4yb6E-3m62A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3md2 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
 1.34A 4yb6D-3md2A:
undetectable
4yb6E-3md2A:
undetectable		 4yb6D-3md2A:
19.86
4yb6E-3md2A:
19.86
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.
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
 1.14A 4yb6D-3mtjA:
undetectable
4yb6E-3mtjA:
undetectable		 4yb6D-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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  77
GLY A 108
VAL A 109
THR A  68
VAL A  39
 None
 1.35A 4yb6D-3mwcA:
undetectable
4yb6E-3mwcA:
undetectable		 4yb6D-3mwcA:
23.61
4yb6E-3mwcA:
23.61
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
 1.20A 4yb6D-3oaaD:
undetectable
4yb6E-3oaaD:
undetectable		 4yb6D-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.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		5 MET A  89
LEU A  73
LEU A  92
VAL A  42
VAL A 103
 None
 1.34A 4yb6D-3okfA:
undetectable
4yb6E-3okfA:
undetectable		 4yb6D-3okfA:
21.57
4yb6E-3okfA:
21.57
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 LEU A 174
SER A 186
LEU A 157
GLY A 169
VAL A  97
 None
 1.31A 4yb6D-3omnA:
undetectable
4yb6E-3omnA:
undetectable		 4yb6D-3omnA:
20.59
4yb6E-3omnA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pic CIP2

(Trichoderma
reesei) 		no annotation 5 LEU A 148
GLY A 251
VAL A 252
GLU A 291
THR A 246
 None
 1.32A 4yb6D-3picA:
undetectable
4yb6E-3picA:
undetectable		 4yb6D-3picA:
20.74
4yb6E-3picA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4yb6D-3tlmA:
undetectable
4yb6E-3tlmA:
undetectable		 4yb6D-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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 MET A 633
LEU A 630
GLY A 688
VAL A 643
THR A 664
 None
 1.23A 4yb6D-3viuA:
2.7
4yb6E-3viuA:
3.8		 4yb6D-3viuA:
20.06
4yb6E-3viuA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 524
SER A 505
GLY A 828
THR A 831
VAL A 861
 None
 1.34A 4yb6D-3vu1A:
undetectable
4yb6E-3vu1A:
undetectable		 4yb6D-3vu1A:
20.65
4yb6E-3vu1A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4yb6D-3w5nA:
undetectable
4yb6E-3w5nA:
undetectable		 4yb6D-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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 HIS A 226
SER A 144
GLY A 101
VAL A 100
VAL A  99
 None
 1.20A 4yb6D-4ao7A:
undetectable
4yb6E-4ao7A:
undetectable		 4yb6D-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.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		5 LEU A  49
LEU A 206
GLY A   6
VAL A   5
VAL A  56
 None
 1.19A 4yb6D-4b4oA:
undetectable
4yb6E-4b4oA:
undetectable		 4yb6D-4b4oA:
24.22
4yb6E-4b4oA:
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.
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 4yb6D-4ce4F:
undetectable
4yb6E-4ce4F:
undetectable		 4yb6D-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 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 321
 None
 1.03A 4yb6D-4cgtA:
undetectable
4yb6E-4cgtA:
undetectable		 4yb6D-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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 HIS A 180
LEU A 176
LEU A 210
GLY A  39
THR A 137
 None
 1.36A 4yb6D-4eudA:
undetectable
4yb6E-4eudA:
undetectable		 4yb6D-4eudA:
21.05
4yb6E-4eudA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 4yb6D-4fnvA:
undetectable
4yb6E-4fnvA:
undetectable		 4yb6D-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 LEU A 214
GLY A 204
VAL A 205
THR A 171
VAL A 182
 None
 1.27A 4yb6D-4gj1A:
undetectable
4yb6E-4gj1A:
undetectable		 4yb6D-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 LEU A  53
LEU A  72
GLY A  48
VAL A  46
THR A  54
 None
 1.24A 4yb6D-4hkgA:
undetectable
4yb6E-4hkgA:
undetectable		 4yb6D-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.
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
 1.27A 4yb6D-4iq4A:
undetectable
4yb6E-4iq4A:
undetectable		 4yb6D-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 LEU A 351
GLY A 355
VAL A 356
THR A 350
VAL A 322
 None
 1.04A 4yb6D-4jclA:
undetectable
4yb6E-4jclA:
undetectable		 4yb6D-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.
4mo3 COAGULATION FACTOR
VIII

(Sus scrofa) 		PF00754
(F5_F8_type_C) 		5 LEU M2321
LEU M2234
GLY M2242
GLU M2322
VAL M2240
 None
 1.23A 4yb6D-4mo3M:
undetectable
4yb6E-4mo3M:
undetectable		 4yb6D-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 MET A 141
SER A 143
GLY A 281
VAL A 282
THR A 277
 None
 1.33A 4yb6D-4mt1A:
3.9
4yb6E-4mt1A:
4.2		 4yb6D-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.
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
 1.28A 4yb6D-4qdrA:
undetectable
4yb6E-4qdrA:
undetectable		 4yb6D-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.
4qku HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 LEU A  77
LEU A 100
GLY A  49
VAL A  57
VAL A  50
 None
 1.35A 4yb6D-4qkuA:
undetectable
4yb6E-4qkuA:
undetectable		 4yb6D-4qkuA:
21.94
4yb6E-4qkuA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 LEU A 276
GLY A 273
VAL A 317
GLU A 316
THR A 314
 None
 1.31A 4yb6D-4umvA:
undetectable
4yb6E-4umvA:
undetectable		 4yb6D-4umvA:
19.28
4yb6E-4umvA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4yb6D-4x36A:
undetectable
4yb6E-4x36A:
undetectable		 4yb6D-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.
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
 1.14A 4yb6D-4y7dA:
undetectable
4yb6E-4y7dA:
undetectable		 4yb6D-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)
 0.29A 4yb6D-4yb6A:
39.3
4yb6E-4yb6A:
39.1		 4yb6D-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
 0.05A 4yb6D-4yb6A:
39.3
4yb6E-4yb6A:
39.1		 4yb6D-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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 MET A 396
LEU A 408
SER A 403
LEU A 399
VAL A 451
 None
 1.36A 4yb6D-4yj1A:
undetectable
4yb6E-4yj1A:
undetectable		 4yb6D-4yj1A:
20.10
4yb6E-4yj1A:
20.10
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.
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
 1.23A 4yb6D-4yyqA:
undetectable
4yb6E-4yyqA:
undetectable		 4yb6D-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.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		5 LEU 6  13
GLY 6  38
VAL 6  39
GLU 6  40
VAL 6  34
 None
 1.20A 4yb6D-5ady6:
2.7
4yb6E-5ady6:
2.4		 4yb6D-5ady6:
24.54
4yb6E-5ady6:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		5 MET A  49
LEU A  39
LEU A  52
GLY A  12
VAL A  32
 None
 1.36A 4yb6D-5bzaA:
2.4
4yb6E-5bzaA:
2.3		 4yb6D-5bzaA:
21.77
4yb6E-5bzaA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 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 4yb6D-5cqeA:
undetectable
4yb6E-5cqeA:
undetectable		 4yb6D-5cqeA:
20.72
4yb6E-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.
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
 1.22A 4yb6D-5e7pA:
undetectable
4yb6E-5e7pA:
undetectable		 4yb6D-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 LEU A 233
GLY A 282
VAL A 283
GLU A 276
VAL A 244
 None
 1.16A 4yb6D-5exkA:
undetectable
4yb6E-5exkA:
undetectable		 4yb6D-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 LEU A  31
LEU A 216
GLY A  40
VAL A  41
VAL A 255
 None
 1.14A 4yb6D-5f83A:
undetectable
4yb6E-5f83A:
undetectable		 4yb6D-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 LEU A 501
LEU A 413
GLY A 495
GLU A 500
VAL A 493
 None
 1.28A 4yb6D-5fn4A:
undetectable
4yb6E-5fn4A:
undetectable		 4yb6D-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 LEU A  18
LEU A 160
GLY A  99
VAL A 100
THR A  16
 None
 1.33A 4yb6D-5g3pA:
undetectable
4yb6E-5g3pA:
undetectable		 4yb6D-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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 5 LEU Y 397
SER Y 385
GLY Y 349
VAL Y 350
THR Y 365
 None
 1.36A 4yb6D-5gaiY:
undetectable
4yb6E-5gaiY:
undetectable		 4yb6D-5gaiY:
19.66
4yb6E-5gaiY:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 4yb6D-5glgA:
undetectable
4yb6E-5glgA:
undetectable		 4yb6D-5glgA:
22.08
4yb6E-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.
5h7j ELONGATION FACTOR 2

(Pyrococcus
horikoshii) 		no annotation 5 SER A 323
GLY A 342
VAL A 341
GLU A 353
VAL A 363
 None
 1.24A 4yb6D-5h7jA:
7.8
4yb6E-5h7jA:
7.9		 4yb6D-5h7jA:
undetectable
4yb6E-5h7jA:
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 359
LEU A 363
GLY A 437
VAL A 463
THR A 381
 None
 1.11A 4yb6D-5i51A:
undetectable
4yb6E-5i51A:
undetectable		 4yb6D-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.
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
 1.31A 4yb6D-5iy6T:
undetectable
4yb6E-5iy6T:
undetectable		 4yb6D-5iy6T:
23.27
4yb6E-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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 SER A 473
LEU A  99
GLY A 482
THR A 515
VAL A 483
 None
 1.24A 4yb6D-5j90A:
undetectable
4yb6E-5j90A:
undetectable		 4yb6D-5j90A:
20.70
4yb6E-5j90A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k95 GTP CYCLOHYDROLASE
FOLE2

(Neisseria
gonorrhoeae) 		PF02649
(GCHY-1) 		5 HIS A 135
LEU A 124
SER A 171
GLY A 176
VAL A 175
 None
 1.36A 4yb6D-5k95A:
undetectable
4yb6E-5k95A:
undetectable		 4yb6D-5k95A:
23.95
4yb6E-5k95A:
23.95
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.
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
 1.22A 4yb6D-5keiA:
undetectable
4yb6E-5keiA:
0.7		 4yb6D-5keiA:
19.72
4yb6E-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)
 1.24A 4yb6D-5n2pA:
undetectable
4yb6E-5n2pA:
undetectable		 4yb6D-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.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 5 MET A 209
LEU A 207
GLY A 361
VAL A 362
THR A 352
 None
None
None
None
FAD  A1001 ( 4.8A)
 1.31A 4yb6D-5na4A:
undetectable
4yb6E-5na4A:
undetectable		 4yb6D-5na4A:
undetectable
4yb6E-5na4A:
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
 1.29A 4yb6D-5ul4A:
undetectable
4yb6E-5ul4A:
undetectable		 4yb6D-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.
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)
 1.03A 4yb6D-5vldA:
undetectable
4yb6E-5vldA:
1.3		 4yb6D-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 LEU A 531
SER A 562
LEU A 114
GLY A 158
THR A 155
 None
 1.33A 4yb6D-5z9sA:
undetectable
4yb6E-5z9sA:
undetectable		 4yb6D-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 LEU A  23
SER A 136
LEU A  48
GLY A  28
VAL A  31
 None
 1.09A 4yb6D-6aq3A:
undetectable
4yb6E-6aq3A:
undetectable		 4yb6D-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 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 4yb6D-6bmsA:
undetectable
4yb6E-6bmsA:
undetectable		 4yb6D-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 HIS A 268
LEU A 272
LEU A 293
GLY A 165
VAL A 161
 None
 0.97A 4yb6D-6fn0A:
undetectable
4yb6E-6fn0A:
undetectable		 4yb6D-6fn0A:
undetectable
4yb6E-6fn0A:
undetectable