SIMILAR PATTERNS OF AMINO ACIDS FOR 4YB6_C_HISC302

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 GLY A 731
VAL A 730
HIS A 455
LEU A 400
SER A 457
 None
 1.34A 4yb6C-1d0nA:
0.0
4yb6F-1d0nA:
0.0		 4yb6C-1d0nA:
17.51
4yb6F-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 GLY A 503
VAL A 501
VAL A 504
LEU A 456
LEU A 513
 None
 1.24A 4yb6C-1dceA:
undetectable
4yb6F-1dceA:
undetectable		 4yb6C-1dceA:
20.70
4yb6F-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 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 0.96A 4yb6C-1dedA:
0.0
4yb6F-1dedA:
0.0		 4yb6C-1dedA:
16.69
4yb6F-1dedA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		5 GLY A  84
GLU A  79
VAL A  85
MET A  72
LEU A  73
 None
 1.33A 4yb6C-1epxA:
0.0
4yb6F-1epxA:
0.0		 4yb6C-1epxA:
24.22
4yb6F-1epxA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1frr FERREDOXIN I

(Equisetum
arvense) 		PF00111
(Fer2) 		5 GLY A  48
VAL A  73
VAL A  50
LEU A  34
LEU A  84
 None
 1.19A 4yb6C-1frrA:
undetectable
4yb6F-1frrA:
undetectable		 4yb6C-1frrA:
15.33
4yb6F-1frrA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1frr FERREDOXIN I

(Equisetum
arvense) 		PF00111
(Fer2) 		5 VAL A  73
THR A  88
VAL A  50
LEU A  34
LEU A  84
 None
 1.32A 4yb6C-1frrA:
undetectable
4yb6F-1frrA:
undetectable		 4yb6C-1frrA:
15.33
4yb6F-1frrA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 459
VAL A 458
THR A 441
LEU A 486
SER A 162
 None
 1.36A 4yb6C-1h17A:
0.0
4yb6F-1h17A:
0.0		 4yb6C-1h17A:
17.40
4yb6F-1h17A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ic8 HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Homo sapiens) 		PF00046
(Homeobox)
PF04814
(HNF-1_N) 		5 VAL A 259
GLU A 240
VAL A 264
SER A 210
LEU A 214
 None
 1.07A 4yb6C-1ic8A:
undetectable
4yb6F-1ic8A:
undetectable		 4yb6C-1ic8A:
20.75
4yb6F-1ic8A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 4yb6C-1ii2A:
undetectable
4yb6F-1ii2A:
1.2		 4yb6C-1ii2A:
22.41
4yb6F-1ii2A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.07A 4yb6C-1kclA:
0.0
4yb6F-1kclA:
0.0		 4yb6C-1kclA:
19.67
4yb6F-1kclA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nff PUTATIVE
OXIDOREDUCTASE
RV2002

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A 162
VAL A 160
HIS A 182
LEU A 144
SER A 180
 None
 1.18A 4yb6C-1nffA:
undetectable
4yb6F-1nffA:
undetectable		 4yb6C-1nffA:
20.13
4yb6F-1nffA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 VAL A 235
VAL A 252
MET A   1
LEU A 218
LEU A 285
 None
 0.99A 4yb6C-1nrwA:
undetectable
4yb6F-1nrwA:
undetectable		 4yb6C-1nrwA:
23.85
4yb6F-1nrwA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjz THIOPURINE
S-METHYLTRANSFERASE

(Pseudomonas
syringae) 		PF05724
(TPMT) 		5 GLY A 172
THR A 138
VAL A 171
LEU A 139
LEU A 135
 None
 1.32A 4yb6C-1pjzA:
undetectable
4yb6F-1pjzA:
undetectable		 4yb6C-1pjzA:
20.97
4yb6F-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 GLY A 430
VAL A 456
THR A 378
SER A 356
LEU A 360
 None
 1.20A 4yb6C-1r9jA:
undetectable
4yb6F-1r9jA:
undetectable		 4yb6C-1r9jA:
19.76
4yb6F-1r9jA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 252
THR A 206
VAL A 251
LEU A 203
LEU A  60
 None
 1.25A 4yb6C-1xp4A:
undetectable
4yb6F-1xp4A:
undetectable		 4yb6C-1xp4A:
22.47
4yb6F-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 GLY A 221
THR A 212
HIS A  27
SER A  26
LEU A  52
 None
None
ACT  A 803 (-3.7A)
None
None
 1.34A 4yb6C-1y1pA:
undetectable
4yb6F-1y1pA:
undetectable		 4yb6C-1y1pA:
22.19
4yb6F-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 GLY A  29
GLU A  70
VAL A  26
SER A  73
LEU A  60
 None
 1.26A 4yb6C-1zmrA:
undetectable
4yb6F-1zmrA:
undetectable		 4yb6C-1zmrA:
23.57
4yb6F-1zmrA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLU B 122
VAL B 125
LEU B  96
SER B 119
LEU B 133
 None
 1.28A 4yb6C-2amcB:
5.7
4yb6F-2amcB:
5.8		 4yb6C-2amcB:
19.48
4yb6F-2amcB:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 GLY A  95
VAL A 171
MET A 179
LEU A 103
LEU A 186
 None
 1.28A 4yb6C-2au1A:
undetectable
4yb6F-2au1A:
undetectable		 4yb6C-2au1A:
21.81
4yb6F-2au1A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 GLY A 108
VAL A 109
VAL A  82
HIS A 222
SER A 266
 None
 1.18A 4yb6C-2cevA:
undetectable
4yb6F-2cevA:
undetectable		 4yb6C-2cevA:
25.84
4yb6F-2cevA:
25.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 GLY A 250
VAL A 246
GLU A 247
VAL A 249
LEU A 178
 None
 1.21A 4yb6C-2dfuA:
undetectable
4yb6F-2dfuA:
undetectable		 4yb6C-2dfuA:
22.58
4yb6F-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 GLY A 176
VAL A 175
VAL A 182
MET A 239
LEU A 242
 None
None
None
UD1  A 335 (-3.2A)
None
 1.23A 4yb6C-2gn4A:
undetectable
4yb6F-2gn4A:
undetectable		 4yb6C-2gn4A:
23.45
4yb6F-2gn4A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 154
VAL A 153
GLU A 156
SER A  90
LEU A 245
 None
 1.14A 4yb6C-2gp6A:
undetectable
4yb6F-2gp6A:
undetectable		 4yb6C-2gp6A:
20.85
4yb6F-2gp6A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 154
VAL A 153
LEU A 107
SER A  90
LEU A 245
 None
 1.10A 4yb6C-2gp6A:
undetectable
4yb6F-2gp6A:
undetectable		 4yb6C-2gp6A:
20.85
4yb6F-2gp6A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		5 GLY A 161
VAL A 159
HIS A 181
LEU A 143
SER A 179
 None
 1.25A 4yb6C-2hsdA:
undetectable
4yb6F-2hsdA:
undetectable		 4yb6C-2hsdA:
20.39
4yb6F-2hsdA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		5 VAL A 196
GLU A 195
THR A 164
VAL A 183
LEU A 187
 None
 1.36A 4yb6C-2htmA:
undetectable
4yb6F-2htmA:
undetectable		 4yb6C-2htmA:
24.38
4yb6F-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 GLY A 562
VAL A 561
THR A 647
LEU A 650
LEU A 641
 None
 1.31A 4yb6C-2ixfA:
undetectable
4yb6F-2ixfA:
undetectable		 4yb6C-2ixfA:
24.01
4yb6F-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 GLY A 379
VAL A 378
THR A 365
VAL A 361
LEU A 355
 None
 1.34A 4yb6C-2qkxA:
undetectable
4yb6F-2qkxA:
undetectable		 4yb6C-2qkxA:
21.22
4yb6F-2qkxA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.29A 4yb6C-2qqkA:
undetectable
4yb6F-2qqkA:
undetectable		 4yb6C-2qqkA:
20.92
4yb6F-2qqkA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.28A 4yb6C-2qqoA:
undetectable
4yb6F-2qqoA:
undetectable		 4yb6C-2qqoA:
21.41
4yb6F-2qqoA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 GLY A  52
VAL A  51
VAL A 131
LEU A  16
LEU A  95
 None
 1.19A 4yb6C-2v4yA:
undetectable
4yb6F-2v4yA:
undetectable		 4yb6C-2v4yA:
24.84
4yb6F-2v4yA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 133
GLU A 130
THR A 125
VAL A 156
LEU A  36
 None
 1.32A 4yb6C-2vosA:
undetectable
4yb6F-2vosA:
undetectable		 4yb6C-2vosA:
20.65
4yb6F-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 GLY H  61
VAL H  77
THR H  40
VAL H  63
LEU H  92
 None
 1.07A 4yb6C-2w6jH:
undetectable
4yb6F-2w6jH:
undetectable		 4yb6C-2w6jH:
20.13
4yb6F-2w6jH:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 GLY A 154
VAL A 153
THR A 279
VAL A 286
LEU A 311
 None
None
GOL  A 383 (-3.7A)
None
None
 1.20A 4yb6C-3allA:
undetectable
4yb6F-3allA:
undetectable		 4yb6C-3allA:
23.31
4yb6F-3allA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 354
VAL A 355
THR A 349
VAL A 322
LEU A 350
 None
 1.04A 4yb6C-3bmwA:
undetectable
4yb6F-3bmwA:
undetectable		 4yb6C-3bmwA:
15.53
4yb6F-3bmwA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgw LPPG:FO
2-PHOSPHO-L-LACTATE
TRANSFERASE

(Methanosarcina
mazei) 		PF01933
(UPF0052) 		5 GLY A 167
VAL A 134
VAL A 168
SER A 130
LEU A 204
 None
 1.33A 4yb6C-3cgwA:
undetectable
4yb6F-3cgwA:
undetectable		 4yb6C-3cgwA:
21.47
4yb6F-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 GLY A 321
VAL A 322
THR A 377
VAL A 352
LEU A 357
 None
 1.34A 4yb6C-3cmgA:
undetectable
4yb6F-3cmgA:
undetectable		 4yb6C-3cmgA:
20.18
4yb6F-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.
3i3g N-ACETYLTRANSFERASE

(Trypanosoma
brucei) 		PF00583
(Acetyltransf_1) 		5 GLY A  65
THR A  52
VAL A  89
HIS A  20
LEU A  12
 None
 0.98A 4yb6C-3i3gA:
undetectable
4yb6F-3i3gA:
undetectable		 4yb6C-3i3gA:
21.23
4yb6F-3i3gA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		5 GLY A  57
VAL A  93
THR A  77
VAL A  59
LEU A  99
 None
 1.32A 4yb6C-3it7A:
undetectable
4yb6F-3it7A:
undetectable		 4yb6C-3it7A:
18.69
4yb6F-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 GLY B 246
VAL B 247
GLU B 296
VAL B 241
LEU B 267
 None
 0.98A 4yb6C-3jb9B:
8.5
4yb6F-3jb9B:
undetectable		 4yb6C-3jb9B:
14.13
4yb6F-3jb9B:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 GLY A 182
GLU A 387
VAL A 183
LEU A 362
LEU A 130
 None
 1.19A 4yb6C-3k1dA:
undetectable
4yb6F-3k1dA:
undetectable		 4yb6C-3k1dA:
16.85
4yb6F-3k1dA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2z LEXA REPRESSOR

(Thermotoga
maritima) 		PF00717
(Peptidase_S24)
PF01726
(LexA_DNA_bind) 		5 GLY A 192
VAL A 131
VAL A 190
MET A 120
LEU A 155
 None
 1.33A 4yb6C-3k2zA:
undetectable
4yb6F-3k2zA:
undetectable		 4yb6C-3k2zA:
22.48
4yb6F-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 VAL A 376
GLU A 374
THR A 413
VAL A 454
SER A 332
 None
PHE  A 509 (-3.6A)
PHE  A 509 (-3.7A)
None
None
 1.26A 4yb6C-3l4gA:
undetectable
4yb6F-3l4gA:
undetectable		 4yb6C-3l4gA:
20.63
4yb6F-3l4gA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 VAL A 376
GLU A 374
VAL A 454
SER A 332
LEU A 336
 None
PHE  A 509 (-3.6A)
None
None
None
 1.14A 4yb6C-3l4gA:
undetectable
4yb6F-3l4gA:
undetectable		 4yb6C-3l4gA:
20.63
4yb6F-3l4gA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 353
GLU A 332
THR A 166
VAL A 355
SER A 327
 None
 0.98A 4yb6C-3ljpA:
undetectable
4yb6F-3ljpA:
undetectable		 4yb6C-3ljpA:
20.55
4yb6F-3ljpA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 GLY A 588
VAL A 587
LEU A 555
SER A 542
LEU A 539
 None
 1.36A 4yb6C-3m62A:
undetectable
4yb6F-3m62A:
undetectable		 4yb6C-3m62A:
15.46
4yb6F-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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 172
VAL A 173
MET A 250
LEU A 201
LEU A 281
 None
 1.24A 4yb6C-3mczA:
undetectable
4yb6F-3mczA:
undetectable		 4yb6C-3mczA:
22.70
4yb6F-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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		5 GLY A   7
VAL A   6
VAL A  39
LEU A  78
LEU A  22
 None
 1.13A 4yb6C-3mtjA:
undetectable
4yb6F-3mtjA:
undetectable		 4yb6C-3mtjA:
22.61
4yb6F-3mtjA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 108
VAL A 109
THR A  68
VAL A  39
LEU A  77
 None
 1.36A 4yb6C-3mwcA:
undetectable
4yb6F-3mwcA:
undetectable		 4yb6C-3mwcA:
23.61
4yb6F-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 GLY D 146
VAL D 145
VAL D 293
LEU D 321
LEU D 162
 None
 1.19A 4yb6C-3oaaD:
undetectable
4yb6F-3oaaD:
undetectable		 4yb6C-3oaaD:
23.45
4yb6F-3oaaD:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		5 VAL A  42
VAL A 103
MET A  89
LEU A  73
LEU A  92
 None
 1.33A 4yb6C-3okfA:
undetectable
4yb6F-3okfA:
undetectable		 4yb6C-3okfA:
21.57
4yb6F-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 GLY A 169
VAL A  97
LEU A 174
SER A 186
LEU A 157
 None
 1.32A 4yb6C-3omnA:
undetectable
4yb6F-3omnA:
undetectable		 4yb6C-3omnA:
20.59
4yb6F-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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 GLY A 722
THR A 355
MET A 699
SER A 730
LEU A 710
 None
 1.22A 4yb6C-3tlmA:
undetectable
4yb6F-3tlmA:
undetectable		 4yb6C-3tlmA:
15.91
4yb6F-3tlmA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 688
VAL A 643
THR A 664
MET A 633
LEU A 630
 None
 1.25A 4yb6C-3viuA:
4.3
4yb6F-3viuA:
4.3		 4yb6C-3viuA:
20.06
4yb6F-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 GLY A 828
THR A 831
VAL A 861
LEU A 524
SER A 505
 None
 1.35A 4yb6C-3vu1A:
undetectable
4yb6F-3vu1A:
undetectable		 4yb6C-3vu1A:
20.65
4yb6F-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 GLY A 699
VAL A 700
VAL A 723
SER A 767
LEU A 727
 None
 1.07A 4yb6C-3w5nA:
undetectable
4yb6F-3w5nA:
undetectable		 4yb6C-3w5nA:
14.30
4yb6F-3w5nA:
14.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 GLY A 101
VAL A 100
VAL A  99
HIS A 226
SER A 144
 None
 1.20A 4yb6C-4ao7A:
undetectable
4yb6F-4ao7A:
undetectable		 4yb6C-4ao7A:
21.74
4yb6F-4ao7A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		5 GLY A   6
VAL A   5
VAL A  56
LEU A  49
LEU A 206
 None
 1.18A 4yb6C-4b4oA:
undetectable
4yb6F-4b4oA:
undetectable		 4yb6C-4b4oA:
24.22
4yb6F-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.
4bum VOLTAGE-DEPENDENT
ANION CHANNEL 2

(Danio rerio) 		PF01459
(Porin_3) 		5 GLY X 145
VAL X 144
VAL X 123
LEU X  10
LEU X 125
 None
 1.17A 4yb6C-4bumX:
undetectable
4yb6F-4bumX:
undetectable		 4yb6C-4bumX:
22.39
4yb6F-4bumX:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL4

(Sus scrofa) 		PF00573
(Ribosomal_L4) 		5 GLY F 247
THR F 265
VAL F 243
LEU F 269
LEU F 217
 None
 1.01A 4yb6C-4ce4F:
undetectable
4yb6F-4ce4F:
undetectable		 4yb6C-4ce4F:
19.67
4yb6F-4ce4F:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 GLY A 354
VAL A 355
THR A 349
VAL A 321
LEU A 350
 None
 1.04A 4yb6C-4cgtA:
undetectable
4yb6F-4cgtA:
undetectable		 4yb6C-4cgtA:
17.31
4yb6F-4cgtA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  39
THR A 137
HIS A 180
LEU A 176
LEU A 210
 None
 1.36A 4yb6C-4eudA:
undetectable
4yb6F-4eudA:
undetectable		 4yb6C-4eudA:
21.05
4yb6F-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 GLY A 597
VAL A 610
VAL A 598
LEU A 577
LEU A 581
 None
 1.36A 4yb6C-4fnvA:
undetectable
4yb6F-4fnvA:
undetectable		 4yb6C-4fnvA:
15.91
4yb6F-4fnvA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gj1 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Campylobacter
jejuni) 		PF00977
(His_biosynth) 		5 GLY A 204
VAL A 205
THR A 171
VAL A 182
LEU A 214
 None
 1.29A 4yb6C-4gj1A:
undetectable
4yb6F-4gj1A:
undetectable		 4yb6C-4gj1A:
23.10
4yb6F-4gj1A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkg PHOSPHOPANTETHEINE
ATTACHMENT SITE
FAMILY PROTEIN

(Acinetobacter
baumannii) 		PF00550
(PP-binding) 		5 GLY A  48
VAL A  46
THR A  54
LEU A  53
LEU A  72
 None
 1.26A 4yb6C-4hkgA:
undetectable
4yb6F-4hkgA:
undetectable		 4yb6C-4hkgA:
14.88
4yb6F-4hkgA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Kitasatospora
aureofaciens;
Influenza A
virus) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 GLY A 344
THR A 339
VAL A 346
LEU A 335
LEU A 311
 None
 1.30A 4yb6C-4iq4A:
undetectable
4yb6F-4iq4A:
undetectable		 4yb6C-4iq4A:
21.43
4yb6F-4iq4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 355
VAL A 356
THR A 350
VAL A 322
LEU A 351
 None
 1.04A 4yb6C-4jclA:
undetectable
4yb6F-4jclA:
undetectable		 4yb6C-4jclA:
17.47
4yb6F-4jclA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mo3 COAGULATION FACTOR
VIII

(Sus scrofa) 		PF00754
(F5_F8_type_C) 		5 GLY M2242
GLU M2322
VAL M2240
LEU M2321
LEU M2234
 None
 1.22A 4yb6C-4mo3M:
undetectable
4yb6F-4mo3M:
undetectable		 4yb6C-4mo3M:
19.53
4yb6F-4mo3M:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 GLY A 281
VAL A 282
THR A 277
MET A 141
SER A 143
 None
 1.33A 4yb6C-4mt1A:
4.1
4yb6F-4mt1A:
4.2		 4yb6C-4mt1A:
14.02
4yb6F-4mt1A:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 GLY B 526
VAL B 420
THR B 550
VAL B 528
LEU B 542
 None
None
None
None
EDO  B 701 ( 4.3A)
 1.28A 4yb6C-4ni2B:
3.6
4yb6F-4ni2B:
3.5		 4yb6C-4ni2B:
21.10
4yb6F-4ni2B:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 GLY A 500
GLU A 588
VAL A 498
LEU A 587
LEU A 492
 None
 1.27A 4yb6C-4qdrA:
undetectable
4yb6F-4qdrA:
undetectable		 4yb6C-4qdrA:
21.43
4yb6F-4qdrA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLY A 273
VAL A 317
GLU A 316
THR A 314
LEU A 276
 None
 1.32A 4yb6C-4umvA:
undetectable
4yb6F-4umvA:
undetectable		 4yb6C-4umvA:
19.28
4yb6F-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.
4x22 TRIOSEPHOSPHATE
ISOMERASE

(Leptospira
interrogans) 		PF00121
(TIM) 		5 GLY A 239
VAL A 237
LEU A  23
SER A 246
LEU A 250
 None
 1.21A 4yb6C-4x22A:
undetectable
4yb6F-4x22A:
undetectable		 4yb6C-4x22A:
24.37
4yb6F-4x22A:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		5 VAL A  67
HIS A  54
LEU A 108
SER A  53
LEU A   8
 None
 1.18A 4yb6C-4x36A:
undetectable
4yb6F-4x36A:
undetectable		 4yb6C-4x36A:
22.86
4yb6F-4x36A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 GLY A  99
VAL A 100
THR A 239
VAL A 121
SER A 110
 None
 1.12A 4yb6C-4y7dA:
undetectable
4yb6F-4y7dA:
undetectable		 4yb6C-4y7dA:
20.94
4yb6F-4y7dA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 GLY A 247
VAL A 248
GLU A 249
THR A 252
VAL A 268
 HIS  A 302 (-3.2A)
HIS  A 302 (-4.0A)
None
HIS  A 302 (-4.0A)
HIS  A 302 (-3.8A)
 0.29A 4yb6C-4yb6A:
38.6
4yb6F-4yb6A:
38.4		 4yb6C-4yb6A:
100.00
4yb6F-4yb6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 MET A 230
HIS A 232
LEU A 256
SER A 288
LEU A 290
 None
 0.03A 4yb6C-4yb6A:
38.6
4yb6F-4yb6A:
38.4		 4yb6C-4yb6A:
100.00
4yb6F-4yb6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyq FICIN ISOFORM A

(Ficus carica) 		PF00112
(Peptidase_C1) 		5 GLY A 206
VAL A 207
VAL A 135
MET A 192
LEU A 178
 None
 1.24A 4yb6C-4yyqA:
undetectable
4yb6F-4yyqA:
undetectable		 4yb6C-4yyqA:
22.29
4yb6F-4yyqA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		5 GLY 6  38
VAL 6  39
GLU 6  40
VAL 6  34
LEU 6  13
 None
 1.21A 4yb6C-5ady6:
2.8
4yb6F-5ady6:
2.3		 4yb6C-5ady6:
24.54
4yb6F-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 GLY A  12
VAL A  32
MET A  49
LEU A  39
LEU A  52
 None
 1.35A 4yb6C-5bzaA:
undetectable
4yb6F-5bzaA:
undetectable		 4yb6C-5bzaA:
21.77
4yb6F-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.
5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH

(Thermus
thermophilus) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 GLY A 128
VAL A 127
GLU A 141
SER A 145
LEU A 148
 B12  A 300 (-3.6A)
B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
B12  A 300 (-3.0A)
None
 1.36A 4yb6C-5c8aA:
2.2
4yb6F-5c8aA:
undetectable		 4yb6C-5c8aA:
25.57
4yb6F-5c8aA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 GLY A  61
THR A  56
VAL A  63
LEU A  52
LEU A  28
 None
 1.31A 4yb6C-5cqeA:
undetectable
4yb6F-5cqeA:
undetectable		 4yb6C-5cqeA:
20.72
4yb6F-5cqeA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 GLY A  62
VAL A  94
THR A  66
VAL A 100
LEU A  84
 None
 1.20A 4yb6C-5e7pA:
undetectable
4yb6F-5e7pA:
undetectable		 4yb6C-5e7pA:
17.96
4yb6F-5e7pA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		5 GLY A 282
VAL A 283
GLU A 276
VAL A 244
LEU A 233
 None
 1.16A 4yb6C-5exkA:
undetectable
4yb6F-5exkA:
undetectable		 4yb6C-5exkA:
22.50
4yb6F-5exkA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 GLY A  40
VAL A  41
VAL A 255
LEU A  31
LEU A 216
 None
 1.12A 4yb6C-5f83A:
undetectable
4yb6F-5f83A:
undetectable		 4yb6C-5f83A:
20.25
4yb6F-5f83A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 GLY A 495
GLU A 500
VAL A 493
LEU A 501
LEU A 413
 None
 1.28A 4yb6C-5fn4A:
undetectable
4yb6F-5fn4A:
undetectable		 4yb6C-5fn4A:
19.32
4yb6F-5fn4A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3p FORMAMIDASE

(Bacillus cereus) 		PF00795
(CN_hydrolase) 		5 GLY A  99
VAL A 100
THR A  16
LEU A  18
LEU A 160
 None
 1.31A 4yb6C-5g3pA:
undetectable
4yb6F-5g3pA:
undetectable		 4yb6C-5g3pA:
21.31
4yb6F-5g3pA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7j ELONGATION FACTOR 2

(Pyrococcus
horikoshii) 		no annotation 5 GLY A 342
VAL A 341
GLU A 353
VAL A 363
SER A 323
 None
 1.24A 4yb6C-5h7jA:
8.1
4yb6F-5h7jA:
8.1		 4yb6C-5h7jA:
undetectable
4yb6F-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 GLY T  11
GLU T 107
THR T  94
SER T 105
LEU T   7
 None
 1.31A 4yb6C-5iy6T:
undetectable
4yb6F-5iy6T:
undetectable		 4yb6C-5iy6T:
23.27
4yb6F-5iy6T:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		5 GLY A  72
VAL A 165
MET A  88
LEU A  75
LEU A  91
 None
 1.08A 4yb6C-5jxuA:
1.7
4yb6F-5jxuA:
1.6		 4yb6C-5jxuA:
20.25
4yb6F-5jxuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00227
(Proteasome) 		5 GLY K  11
VAL K  12
VAL K 179
LEU K 153
LEU K  42
 None
 1.32A 4yb6C-5l5wK:
undetectable
4yb6F-5l5wK:
undetectable		 4yb6C-5l5wK:
21.81
4yb6F-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.
5m89 SPLICEOSOME WD40 SC

(Chaetomium
thermophilum) 		no annotation 5 GLY A 424
VAL A 451
VAL A 429
LEU A 209
LEU A 475
 None
 1.36A 4yb6C-5m89A:
undetectable
4yb6F-5m89A:
undetectable		 4yb6C-5m89A:
undetectable
4yb6F-5m89A:
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 GLY A 361
VAL A 362
THR A 352
MET A 209
LEU A 207
 None
None
FAD  A1001 ( 4.8A)
None
None
 1.32A 4yb6C-5na4A:
undetectable
4yb6F-5na4A:
undetectable		 4yb6C-5na4A:
undetectable
4yb6F-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 GLY A 216
VAL A 215
THR A 140
VAL A 185
LEU A 122
 B12  A 802 (-3.6A)
None
None
None
None
 1.31A 4yb6C-5ul4A:
undetectable
4yb6F-5ul4A:
undetectable		 4yb6C-5ul4A:
20.00
4yb6F-5ul4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		5 GLY A 421
VAL A 422
THR A 406
VAL A 409
HIS A 135
 None
None
None
NAD  A 502 (-3.4A)
None
 1.03A 4yb6C-5vldA:
undetectable
4yb6F-5vldA:
undetectable		 4yb6C-5vldA:
22.10
4yb6F-5vldA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 158
THR A 155
LEU A 531
SER A 562
LEU A 114
 None
 1.29A 4yb6C-5z9sA:
undetectable
4yb6F-5z9sA:
undetectable		 4yb6C-5z9sA:
undetectable
4yb6F-5z9sA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aq3 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 3

(Naegleria
fowleri) 		PF04051
(TRAPP) 		5 GLY A  28
VAL A  31
LEU A  23
SER A 136
LEU A  48
 None
 1.11A 4yb6C-6aq3A:
undetectable
4yb6F-6aq3A:
undetectable		 4yb6C-6aq3A:
22.22
4yb6F-6aq3A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 GLY A 151
THR A 228
VAL A 150
HIS A 218
LEU A 221
 None
LMT  A1003 (-4.3A)
None
None
None
 1.25A 4yb6C-6bmsA:
undetectable
4yb6F-6bmsA:
undetectable		 4yb6C-6bmsA:
undetectable
4yb6F-6bmsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bms PALMITOYLTRANSFERASE

(Danio rerio) 		no annotation 5 GLY A 151
VAL A 150
THR A 228
HIS A 218
LEU A 221
 None
None
LMT  A1003 (-4.3A)
None
None
 1.36A 4yb6C-6bmsA:
undetectable
4yb6F-6bmsA:
undetectable		 4yb6C-6bmsA:
undetectable
4yb6F-6bmsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fn0 -

(-) 		no annotation 5 GLY A 165
VAL A 161
HIS A 268
LEU A 272
LEU A 293
 None
 0.96A 4yb6C-6fn0A:
undetectable
4yb6F-6fn0A:
undetectable		 4yb6C-6fn0A:
undetectable
4yb6F-6fn0A:
undetectable