SIMILAR PATTERNS OF AMINO ACIDS FOR 4YB6_D_HISD302_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
 1.32A 4yb6A-1d0nA:
0.0
4yb6D-1d0nA:
0.0		 4yb6A-1d0nA:
17.51
4yb6D-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
 1.25A 4yb6A-1dceA:
undetectable
4yb6D-1dceA:
undetectable		 4yb6A-1dceA:
20.70
4yb6D-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
 0.97A 4yb6A-1dedA:
0.0
4yb6D-1dedA:
0.0		 4yb6A-1dedA:
16.69
4yb6D-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
 1.31A 4yb6A-1epxA:
0.0
4yb6D-1epxA:
0.0		 4yb6A-1epxA:
24.22
4yb6D-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
GLY A  48
VAL A  73
VAL A  50
 None
 1.20A 4yb6A-1frrA:
undetectable
4yb6D-1frrA:
undetectable		 4yb6A-1frrA:
15.33
4yb6D-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
 1.04A 4yb6A-1ic8A:
undetectable
4yb6D-1ic8A:
undetectable		 4yb6A-1ic8A:
20.75
4yb6D-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
4yb6D-1ii2A:
undetectable		 4yb6A-1ii2A:
22.41
4yb6D-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 4yb6A-1kclA:
0.0
4yb6D-1kclA:
0.0		 4yb6A-1kclA:
19.67
4yb6D-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
 1.17A 4yb6A-1nffA:
undetectable
4yb6D-1nffA:
0.0		 4yb6A-1nffA:
20.13
4yb6D-1nffA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 MET A   1
LEU A 218
LEU A 285
VAL A 235
VAL A 252
 None
 0.98A 4yb6A-1nrwA:
undetectable
4yb6D-1nrwA:
undetectable		 4yb6A-1nrwA:
23.85
4yb6D-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.
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
 1.29A 4yb6A-1pjzA:
undetectable
4yb6D-1pjzA:
undetectable		 4yb6A-1pjzA:
20.97
4yb6D-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
 1.22A 4yb6A-1r9jA:
undetectable
4yb6D-1r9jA:
2.0		 4yb6A-1r9jA:
19.76
4yb6D-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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LEU A 203
LEU A  60
GLY A 252
THR A 206
VAL A 251
 None
 1.25A 4yb6A-1xp4A:
undetectable
4yb6D-1xp4A:
undetectable		 4yb6A-1xp4A:
22.47
4yb6D-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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 HIS A  27
SER A  26
LEU A  52
GLY A 221
THR A 212
 ACT  A 803 (-3.7A)
None
None
None
None
 1.32A 4yb6A-1y1pA:
undetectable
4yb6D-1y1pA:
undetectable		 4yb6A-1y1pA:
22.19
4yb6D-1y1pA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 SER A  73
LEU A  60
GLY A  29
GLU A  70
VAL A  26
 None
 1.27A 4yb6A-1zmrA:
undetectable
4yb6D-1zmrA:
undetectable		 4yb6A-1zmrA:
23.57
4yb6D-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 4yb6A-2amcB:
5.8
4yb6D-2amcB:
5.8		 4yb6A-2amcB:
19.48
4yb6D-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
 1.27A 4yb6A-2au1A:
undetectable
4yb6D-2au1A:
undetectable		 4yb6A-2au1A:
21.81
4yb6D-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
 1.18A 4yb6A-2cevA:
undetectable
4yb6D-2cevA:
undetectable		 4yb6A-2cevA:
25.84
4yb6D-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
 1.21A 4yb6A-2dfuA:
undetectable
4yb6D-2dfuA:
undetectable		 4yb6A-2dfuA:
22.58
4yb6D-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.
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
 1.22A 4yb6A-2gn4A:
undetectable
4yb6D-2gn4A:
undetectable		 4yb6A-2gn4A:
23.45
4yb6D-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
 1.13A 4yb6A-2gp6A:
undetectable
4yb6D-2gp6A:
undetectable		 4yb6A-2gp6A:
20.85
4yb6D-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
 1.16A 4yb6A-2gp6A:
undetectable
4yb6D-2gp6A:
undetectable		 4yb6A-2gp6A:
20.85
4yb6D-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
 1.24A 4yb6A-2hsdA:
undetectable
4yb6D-2hsdA:
undetectable		 4yb6A-2hsdA:
20.39
4yb6D-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.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		5 LEU A 187
VAL A 196
GLU A 195
THR A 164
VAL A 183
 None
 1.33A 4yb6A-2htmA:
undetectable
4yb6D-2htmA:
undetectable		 4yb6A-2htmA:
24.38
4yb6D-2htmA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixf ANTIGEN PEPTIDE
TRANSPORTER 1

(Rattus
norvegicus) 		PF00005
(ABC_tran) 		5 LEU A 650
LEU A 641
GLY A 562
VAL A 561
THR A 647
 None
 1.29A 4yb6A-2ixfA:
undetectable
4yb6D-2ixfA:
undetectable		 4yb6A-2ixfA:
24.01
4yb6D-2ixfA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 4yb6A-2qkxA:
undetectable
4yb6D-2qkxA:
undetectable		 4yb6A-2qkxA:
21.22
4yb6D-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
 1.27A 4yb6A-2qqkA:
undetectable
4yb6D-2qqkA:
undetectable		 4yb6A-2qqkA:
20.92
4yb6D-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
 1.26A 4yb6A-2qqoA:
undetectable
4yb6D-2qqoA:
undetectable		 4yb6A-2qqoA:
21.41
4yb6D-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 4yb6A-2v4yA:
undetectable
4yb6D-2v4yA:
undetectable		 4yb6A-2v4yA:
24.84
4yb6D-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 4yb6A-2vosA:
undetectable
4yb6D-2vosA:
undetectable		 4yb6A-2vosA:
20.65
4yb6D-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.
2w6j F1-ATPASE DELTA
SUBUNIT

(Bos taurus) 		PF02823
(ATP-synt_DE_N) 		5 LEU H  92
GLY H  61
VAL H  77
THR H  40
VAL H  63
 None
 1.05A 4yb6A-2w6jH:
undetectable
4yb6D-2w6jH:
undetectable		 4yb6A-2w6jH:
20.13
4yb6D-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.
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 4yb6A-2xe5A:
undetectable
4yb6D-2xe5A:
undetectable		 4yb6A-2xe5A:
22.43
4yb6D-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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 LEU A 311
GLY A 154
VAL A 153
THR A 279
VAL A 286
 None
None
None
GOL  A 383 (-3.7A)
None
 1.17A 4yb6A-3allA:
undetectable
4yb6D-3allA:
undetectable		 4yb6A-3allA:
23.31
4yb6D-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 LEU A 350
GLY A 354
VAL A 355
THR A 349
VAL A 322
 None
 1.04A 4yb6A-3bmwA:
undetectable
4yb6D-3bmwA:
undetectable		 4yb6A-3bmwA:
15.53
4yb6D-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 4yb6A-3cgwA:
undetectable
4yb6D-3cgwA:
undetectable		 4yb6A-3cgwA:
21.47
4yb6D-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
 1.35A 4yb6A-3cmgA:
undetectable
4yb6D-3cmgA:
undetectable		 4yb6A-3cmgA:
20.18
4yb6D-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
 1.20A 4yb6A-3h5cB:
undetectable
4yb6D-3h5cB:
undetectable		 4yb6A-3h5cB:
20.00
4yb6D-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
 0.99A 4yb6A-3i3gA:
undetectable
4yb6D-3i3gA:
undetectable		 4yb6A-3i3gA:
21.23
4yb6D-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
 1.30A 4yb6A-3it7A:
undetectable
4yb6D-3it7A:
undetectable		 4yb6A-3it7A:
18.69
4yb6D-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
 1.02A 4yb6A-3jb9B:
8.4
4yb6D-3jb9B:
8.5		 4yb6A-3jb9B:
14.13
4yb6D-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
 1.20A 4yb6A-3k1dA:
undetectable
4yb6D-3k1dA:
undetectable		 4yb6A-3k1dA:
16.85
4yb6D-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 4yb6A-3k2zA:
undetectable
4yb6D-3k2zA:
undetectable		 4yb6A-3k2zA:
22.48
4yb6D-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 SER A 332
LEU A 336
VAL A 376
GLU A 374
VAL A 454
 None
None
None
PHE  A 509 (-3.6A)
None
 1.12A 4yb6A-3l4gA:
undetectable
4yb6D-3l4gA:
undetectable		 4yb6A-3l4gA:
20.63
4yb6D-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
 1.27A 4yb6A-3l4gA:
undetectable
4yb6D-3l4gA:
undetectable		 4yb6A-3l4gA:
20.63
4yb6D-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 4yb6A-3ljpA:
undetectable
4yb6D-3ljpA:
undetectable		 4yb6A-3ljpA:
20.55
4yb6D-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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 MET A 250
LEU A 201
LEU A 281
GLY A 172
VAL A 173
 None
 1.22A 4yb6A-3mczA:
undetectable
4yb6D-3mczA:
undetectable		 4yb6A-3mczA:
22.70
4yb6D-3mczA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.35A 4yb6A-3md2A:
undetectable
4yb6D-3md2A:
undetectable		 4yb6A-3md2A:
19.86
4yb6D-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
 1.13A 4yb6A-3mtjA:
undetectable
4yb6D-3mtjA:
undetectable		 4yb6A-3mtjA:
22.61
4yb6D-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
 1.34A 4yb6A-3mwcA:
undetectable
4yb6D-3mwcA:
undetectable		 4yb6A-3mwcA:
23.61
4yb6D-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
 1.19A 4yb6A-3oaaD:
undetectable
4yb6D-3oaaD:
undetectable		 4yb6A-3oaaD:
23.45
4yb6D-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
 1.31A 4yb6A-3okfA:
undetectable
4yb6D-3okfA:
undetectable		 4yb6A-3okfA:
21.57
4yb6D-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
 1.33A 4yb6A-3omnA:
undetectable
4yb6D-3omnA:
undetectable		 4yb6A-3omnA:
20.59
4yb6D-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.
3p8k HYDROLASE,
CARBON-NITROGEN
FAMILY

(Staphylococcus
aureus) 		PF00795
(CN_hydrolase) 		5 LEU A 237
GLY A 224
VAL A 223
THR A 234
VAL A 215
 None
 1.17A 4yb6A-3p8kA:
undetectable
4yb6D-3p8kA:
undetectable		 4yb6A-3p8kA:
22.22
4yb6D-3p8kA:
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.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 HIS A  89
LEU A 117
SER A  14
VAL A 125
VAL A  69
 None
 1.35A 4yb6A-3ppiA:
undetectable
4yb6D-3ppiA:
undetectable		 4yb6A-3ppiA:
21.66
4yb6D-3ppiA:
21.66
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.
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
 1.23A 4yb6A-3tlmA:
undetectable
4yb6D-3tlmA:
undetectable		 4yb6A-3tlmA:
15.91
4yb6D-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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 HIS A 203
LEU A 165
SER A 201
GLY A 183
VAL A 181
 None
 1.32A 4yb6A-3uveA:
undetectable
4yb6D-3uveA:
undetectable		 4yb6A-3uveA:
24.07
4yb6D-3uveA:
24.07
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.
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
 1.24A 4yb6A-3viuA:
0.7
4yb6D-3viuA:
2.8		 4yb6A-3viuA:
20.06
4yb6D-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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 HIS A 226
SER A 144
GLY A 101
VAL A 100
VAL A  99
 None
 1.21A 4yb6A-4ao7A:
undetectable
4yb6D-4ao7A:
undetectable		 4yb6A-4ao7A:
21.74
4yb6D-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 4yb6A-4b4oA:
undetectable
4yb6D-4b4oA:
undetectable		 4yb6A-4b4oA:
24.22
4yb6D-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
 1.01A 4yb6A-4ce4F:
undetectable
4yb6D-4ce4F:
undetectable		 4yb6A-4ce4F:
19.67
4yb6D-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 4yb6A-4cgtA:
undetectable
4yb6D-4cgtA:
undetectable		 4yb6A-4cgtA:
17.31
4yb6D-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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 LEU A  28
GLY A 293
VAL A  49
THR A 288
VAL A  26
 None
 1.29A 4yb6A-4ex9A:
undetectable
4yb6D-4ex9A:
undetectable		 4yb6A-4ex9A:
21.80
4yb6D-4ex9A:
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.
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
 1.29A 4yb6A-4gj1A:
undetectable
4yb6D-4gj1A:
undetectable		 4yb6A-4gj1A:
23.10
4yb6D-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
 1.28A 4yb6A-4hkgA:
undetectable
4yb6D-4hkgA:
undetectable		 4yb6A-4hkgA:
14.88
4yb6D-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.
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
 1.03A 4yb6A-4jclA:
undetectable
4yb6D-4jclA:
undetectable		 4yb6A-4jclA:
17.47
4yb6D-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
 1.22A 4yb6A-4mo3M:
undetectable
4yb6D-4mo3M:
undetectable		 4yb6A-4mo3M:
19.53
4yb6D-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
 1.34A 4yb6A-4mt1A:
4.0
4yb6D-4mt1A:
3.9		 4yb6A-4mt1A:
14.02
4yb6D-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 LEU B 542
GLY B 526
VAL B 420
THR B 550
VAL B 528
 EDO  B 701 ( 4.3A)
None
None
None
None
 1.29A 4yb6A-4ni2B:
3.8
4yb6D-4ni2B:
3.8		 4yb6A-4ni2B:
21.10
4yb6D-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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 LEU A  99
LEU A  84
GLY A 147
VAL A 246
VAL A 145
 None
 1.34A 4yb6A-4o7mA:
4.2
4yb6D-4o7mA:
3.1		 4yb6A-4o7mA:
24.51
4yb6D-4o7mA:
24.51
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.
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
 1.26A 4yb6A-4qdrA:
undetectable
4yb6D-4qdrA:
undetectable		 4yb6A-4qdrA:
21.43
4yb6D-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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 SER A  83
LEU A  82
GLY A  86
THR A  89
VAL A  69
 None
 1.26A 4yb6A-4qorA:
undetectable
4yb6D-4qorA:
undetectable		 4yb6A-4qorA:
22.06
4yb6D-4qorA:
22.06
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.
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
 1.33A 4yb6A-4umvA:
undetectable
4yb6D-4umvA:
undetectable		 4yb6A-4umvA:
19.28
4yb6D-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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 LEU A 311
SER A 249
LEU A 250
GLY A  47
VAL A  49
 None
 1.17A 4yb6A-4wd2A:
undetectable
4yb6D-4wd2A:
undetectable		 4yb6A-4wd2A:
22.88
4yb6D-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 LEU A  23
SER A 246
LEU A 250
GLY A 239
VAL A 237
 None
 1.19A 4yb6A-4x22A:
undetectable
4yb6D-4x22A:
undetectable		 4yb6A-4x22A:
24.37
4yb6D-4x22A:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		5 HIS A  54
LEU A 108
SER A  53
LEU A   8
VAL A  67
 None
 1.17A 4yb6A-4x36A:
undetectable
4yb6D-4x36A:
undetectable		 4yb6A-4x36A:
22.86
4yb6D-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
 1.12A 4yb6A-4y7dA:
undetectable
4yb6D-4y7dA:
undetectable		 4yb6A-4y7dA:
20.94
4yb6D-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 4yb6A-4yb6A:
40.8
4yb6D-4yb6A:
39.3		 4yb6A-4yb6A:
100.00
4yb6D-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
 0.00A 4yb6A-4yb6A:
40.8
4yb6D-4yb6A:
39.3		 4yb6A-4yb6A:
100.00
4yb6D-4yb6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyq FICIN ISOFORM A

(Ficus carica) 		PF00112
(Peptidase_C1) 		5 MET A 192
LEU A 178
GLY A 206
VAL A 207
VAL A 135
 None
 1.22A 4yb6A-4yyqA:
undetectable
4yb6D-4yyqA:
undetectable		 4yb6A-4yyqA:
22.29
4yb6D-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 4yb6A-5ady6:
2.8
4yb6D-5ady6:
2.7		 4yb6A-5ady6:
24.54
4yb6D-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
 1.34A 4yb6A-5bzaA:
2.4
4yb6D-5bzaA:
2.4		 4yb6A-5bzaA:
21.77
4yb6D-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
 1.28A 4yb6A-5cqeA:
undetectable
4yb6D-5cqeA:
undetectable		 4yb6A-5cqeA:
20.72
4yb6D-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
 1.17A 4yb6A-5e7pA:
undetectable
4yb6D-5e7pA:
undetectable		 4yb6A-5e7pA:
17.96
4yb6D-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
 1.17A 4yb6A-5exkA:
undetectable
4yb6D-5exkA:
undetectable		 4yb6A-5exkA:
22.50
4yb6D-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 4yb6A-5f83A:
undetectable
4yb6D-5f83A:
undetectable		 4yb6A-5f83A:
20.25
4yb6D-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
 1.29A 4yb6A-5fn4A:
undetectable
4yb6D-5fn4A:
undetectable		 4yb6A-5fn4A:
19.32
4yb6D-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
 1.32A 4yb6A-5g3pA:
undetectable
4yb6D-5g3pA:
undetectable		 4yb6A-5g3pA:
21.31
4yb6D-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.
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
 1.22A 4yb6A-5h7jA:
8.1
4yb6D-5h7jA:
8.0		 4yb6A-5h7jA:
undetectable
4yb6D-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.
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
 1.32A 4yb6A-5iy6T:
undetectable
4yb6D-5iy6T:
undetectable		 4yb6A-5iy6T:
23.27
4yb6D-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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 MET A  88
LEU A  75
LEU A  91
GLY A  72
VAL A 165
 None
 1.06A 4yb6A-5jxuA:
1.5
4yb6D-5jxuA:
1.5		 4yb6A-5jxuA:
20.25
4yb6D-5jxuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 450
SER A 434
LEU A 405
GLY A 402
VAL A 389
 None
 1.22A 4yb6A-5keiA:
undetectable
4yb6D-5keiA:
undetectable		 4yb6A-5keiA:
19.72
4yb6D-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.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 LEU K 153
LEU K  42
GLY K  11
VAL K  12
VAL K 179
 None
 1.33A 4yb6A-5l5wK:
undetectable
4yb6D-5l5wK:
undetectable		 4yb6A-5l5wK:
21.81
4yb6D-5l5wK:
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.
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)
 1.30A 4yb6A-5na4A:
undetectable
4yb6D-5na4A:
undetectable		 4yb6A-5na4A:
undetectable
4yb6D-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
 1.31A 4yb6A-5ul4A:
undetectable
4yb6D-5ul4A:
undetectable		 4yb6A-5ul4A:
20.00
4yb6D-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)
 1.01A 4yb6A-5vldA:
undetectable
4yb6D-5vldA:
undetectable		 4yb6A-5vldA:
22.10
4yb6D-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
 1.29A 4yb6A-5z9sA:
undetectable
4yb6D-5z9sA:
undetectable		 4yb6A-5z9sA:
undetectable
4yb6D-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
 1.13A 4yb6A-6aq3A:
undetectable
4yb6D-6aq3A:
undetectable		 4yb6A-6aq3A:
22.22
4yb6D-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 4yb6A-6bmsA:
undetectable
4yb6D-6bmsA:
undetectable		 4yb6A-6bmsA:
undetectable
4yb6D-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.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 HIS A 218
LEU A 221
GLY A 151
VAL A 150
THR A 228
 None
None
None
None
LMT  A1003 (-4.3A)
 1.34A 4yb6A-6bmsA:
undetectable
4yb6D-6bmsA:
undetectable		 4yb6A-6bmsA:
undetectable
4yb6D-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
 0.96A 4yb6A-6fn0A:
undetectable
4yb6D-6fn0A:
undetectable		 4yb6A-6fn0A:
undetectable
4yb6D-6fn0A:
undetectable