SIMILAR PATTERNS OF AMINO ACIDS FOR 3SI7_C_ACTC4

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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		4 GLY A  75
GLY A  73
THR A  71
LEU A 333
 None
 0.93A 3si7C-1a5cA:
0.0
3si7D-1a5cA:
0.4		 3si7C-1a5cA:
23.45
3si7D-1a5cA:
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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 GLY A  38
GLY A  36
THR A  21
LEU A  18
 PPE  A 411 ( 3.8A)
None
None
None
 0.89A 3si7C-1akcA:
1.1
3si7D-1akcA:
1.0		 3si7C-1akcA:
22.93
3si7D-1akcA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ao5 GLANDULAR
KALLIKREIN-13

(Mus musculus) 		PF00089
(Trypsin) 		4 GLY A  44
GLY A 197
THR A 212
LEU A 209
 None
 0.85A 3si7C-1ao5A:
0.0
3si7D-1ao5A:
0.0		 3si7C-1ao5A:
21.09
3si7D-1ao5A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLY A 132
GLY A 130
THR A 128
LEU A 198
 None
 0.65A 3si7C-1avvA:
undetectable
3si7D-1avvA:
undetectable		 3si7C-1avvA:
20.57
3si7D-1avvA:
20.57
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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 GLY A 264
GLY A 261
THR A 257
LEU A 149
 None
 0.93A 3si7C-1b0aA:
0.0
3si7D-1b0aA:
0.0		 3si7C-1b0aA:
21.41
3si7D-1b0aA:
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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		4 GLY A 287
GLY A 292
THR A  96
LEU A 105
 None
 0.94A 3si7C-1c7gA:
0.5
3si7D-1c7gA:
0.5		 3si7C-1c7gA:
20.62
3si7D-1c7gA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cv8 STAPHOPAIN

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		4 GLY A 173
GLY A 102
THR A  36
LEU A  33
 None
 0.84A 3si7C-1cv8A:
0.0
3si7D-1cv8A:
0.0		 3si7C-1cv8A:
18.42
3si7D-1cv8A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLY A 240
GLY A 243
THR A 247
LEU A 292
 None
 0.86A 3si7C-1hkwA:
0.0
3si7D-1hkwA:
0.0		 3si7C-1hkwA:
21.29
3si7D-1hkwA:
21.29
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.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		4 GLY A 212
GLY A 210
THR A 208
LEU A 244
 SO4  A2003 (-3.2A)
SO4  A2005 (-3.6A)
None
None
 0.79A 3si7C-1jxiA:
1.0
3si7D-1jxiA:
1.0		 3si7C-1jxiA:
20.38
3si7D-1jxiA:
20.38
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.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A  44
GLY A 197
THR A 139
LEU A 155
 None
 0.93A 3si7C-1mzaA:
undetectable
3si7D-1mzaA:
undetectable		 3si7C-1mzaA:
19.39
3si7D-1mzaA:
19.39
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		4 GLY A 214
GLY A 193
THR A 172
LEU A 112
 None
 0.86A 3si7C-1nmoA:
undetectable
3si7D-1nmoA:
undetectable		 3si7C-1nmoA:
22.07
3si7D-1nmoA:
22.07
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.
1pxv CYSTEINE PROTEASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		4 GLY A 392
GLY A 321
THR A 255
LEU A 252
 None
 0.84A 3si7C-1pxvA:
undetectable
3si7D-1pxvA:
undetectable		 3si7C-1pxvA:
20.14
3si7D-1pxvA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrz PLASMINOGEN

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 590
GLY A 743
THR A 683
LEU A 697
 None
 0.93A 3si7C-1qrzA:
undetectable
3si7D-1qrzA:
undetectable		 3si7C-1qrzA:
21.92
3si7D-1qrzA:
21.92
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 GLY A 419
GLY A 417
THR A 414
LEU A 447
 None
 0.93A 3si7C-1ru3A:
undetectable
3si7D-1ru3A:
undetectable		 3si7C-1ru3A:
16.94
3si7D-1ru3A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		4 GLY A  61
GLY A 300
THR A 307
LEU A 247
 2PB  A 400 (-3.6A)
2PB  A 400 (-3.4A)
None
None
 0.80A 3si7C-1sdeA:
undetectable
3si7D-1sdeA:
undetectable		 3si7C-1sdeA:
22.04
3si7D-1sdeA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ACTIN-RELATED
PROTEIN 2

(Bos taurus) 		PF00022
(Actin) 		4 GLY B 306
GLY B 160
THR B 164
LEU B 265
 ADP  B1002 (-3.2A)
ADP  B1002 (-3.4A)
None
None
 0.90A 3si7C-1u2vB:
undetectable
3si7D-1u2vB:
undetectable		 3si7C-1u2vB:
23.92
3si7D-1u2vB:
23.92
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		4 GLY A  63
GLY A  34
THR A  86
LEU A  84
 DUC  A 300 (-3.9A)
None
None
None
 0.84A 3si7C-1uaqA:
undetectable
3si7D-1uaqA:
undetectable		 3si7C-1uaqA:
20.36
3si7D-1uaqA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		4 GLY A 209
GLY A 207
THR A 205
LEU A 241
 None
 0.95A 3si7C-1ub0A:
undetectable
3si7D-1ub0A:
undetectable		 3si7C-1ub0A:
21.38
3si7D-1ub0A:
21.38
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.
1vla HYDROPEROXIDE
RESISTANCE PROTEIN
OSMC

(Thermotoga
maritima) 		PF02566
(OsmC) 		4 GLY A  45
GLY A  48
THR A  50
LEU A  91
 None
 0.89A 3si7C-1vlaA:
undetectable
3si7D-1vlaA:
undetectable		 3si7C-1vlaA:
18.35
3si7D-1vlaA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		4 GLY A 392
GLY A 321
THR A 255
LEU A 252
 None
 0.86A 3si7C-1x9yA:
undetectable
3si7D-1x9yA:
undetectable		 3si7C-1x9yA:
21.54
3si7D-1x9yA:
21.54
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		4 GLY A 160
GLY A 157
THR A 181
LEU A 190
 SO4  A 329 ( 4.8A)
SO4  A 330 ( 4.7A)
SO4  A 330 (-3.6A)
None
 0.93A 3si7C-1xa0A:
undetectable
3si7D-1xa0A:
undetectable		 3si7C-1xa0A:
22.71
3si7D-1xa0A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7s PROBABLE
PROPIONYL-COA
CARBOXYLASE BETA
CHAIN 5

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		4 GLY A 525
GLY A 522
THR A 520
LEU A 450
 None
 0.94A 3si7C-2a7sA:
undetectable
3si7D-2a7sA:
undetectable		 3si7C-2a7sA:
20.48
3si7D-2a7sA:
20.48
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.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		4 GLY A 254
GLY A 294
THR A 292
LEU A  61
 None
 0.83A 3si7C-2cfbA:
undetectable
3si7D-2cfbA:
undetectable		 3si7C-2cfbA:
22.48
3si7D-2cfbA:
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.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		4 GLY A  12
GLY A  10
THR A  33
LEU A  86
 FAD  A 301 (-3.1A)
FAD  A 301 (-3.2A)
FAD  A 301 (-4.2A)
None
 0.85A 3si7C-2culA:
undetectable
3si7D-2culA:
undetectable		 3si7C-2culA:
21.28
3si7D-2culA:
21.28
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 626
GLY A 606
THR A 609
LEU A 670
 None
 0.87A 3si7C-2d5lA:
undetectable
3si7D-2d5lA:
undetectable		 3si7C-2d5lA:
17.71
3si7D-2d5lA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2do8 UPF0301 PROTEIN
HD_1794

([Haemophilus]
ducreyi) 		PF02622
(DUF179) 		4 GLY A 130
GLY A  83
THR A 108
LEU A 106
 None
 0.81A 3si7C-2do8A:
undetectable
3si7D-2do8A:
undetectable		 3si7C-2do8A:
21.00
3si7D-2do8A:
21.00
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.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 GLY A 345
GLY A 343
THR A 351
LEU A 305
 None
 0.93A 3si7C-2dr1A:
undetectable
3si7D-2dr1A:
undetectable		 3si7C-2dr1A:
22.47
3si7D-2dr1A:
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE

(Rhizobium sp.
MTP-10005) 		PF04909
(Amidohydro_2) 		4 GLY A 134
GLY A 136
THR A 138
LEU A 140
 None
 0.79A 3si7C-2dvuA:
undetectable
3si7D-2dvuA:
undetectable		 3si7C-2dvuA:
21.35
3si7D-2dvuA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dzd PYRUVATE CARBOXYLASE

(Geobacillus
thermodenitrificans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 373
GLY A 375
THR A 402
LEU A 400
 None
 0.95A 3si7C-2dzdA:
undetectable
3si7D-2dzdA:
undetectable		 3si7C-2dzdA:
21.03
3si7D-2dzdA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 633
GLY A 613
THR A 616
LEU A 677
 None
 0.94A 3si7C-2ecfA:
undetectable
3si7D-2ecfA:
undetectable		 3si7C-2ecfA:
18.78
3si7D-2ecfA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		4 GLY A  90
GLY A  57
THR A  55
LEU A 420
 None
 0.93A 3si7C-2fvmA:
undetectable
3si7D-2fvmA:
undetectable		 3si7C-2fvmA:
19.93
3si7D-2fvmA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk4 CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF04127
(DFP) 		4 GLY A  26
GLY A   8
THR A  47
LEU A  45
 None
 0.91A 3si7C-2gk4A:
1.2
3si7D-2gk4A:
undetectable		 3si7C-2gk4A:
23.37
3si7D-2gk4A:
23.37
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.
2hes YDR267CP

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLY X  76
GLY X 112
THR X 124
LEU X 122
 None
 0.74A 3si7C-2hesX:
undetectable
3si7D-2hesX:
undetectable		 3si7C-2hesX:
20.30
3si7D-2hesX:
20.30
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 GLY A 122
GLY A 127
THR A 129
LEU A  77
 None
 0.92A 3si7C-2hihA:
undetectable
3si7D-2hihA:
undetectable		 3si7C-2hihA:
21.56
3si7D-2hihA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kvb CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Bos taurus) 		PF00878
(CIMR) 		4 GLY A 641
GLY A 656
THR A 689
LEU A 671
 None
 0.80A 3si7C-2kvbA:
undetectable
3si7D-2kvbA:
undetectable		 3si7C-2kvbA:
16.97
3si7D-2kvbA:
16.97
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 GLY A 190
GLY A 193
THR A 195
LEU A  32
 None
 0.86A 3si7C-2q1yA:
undetectable
3si7D-2q1yA:
undetectable		 3si7C-2q1yA:
21.64
3si7D-2q1yA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		4 GLY A 258
GLY A 268
THR A 111
LEU A 107
 None
 0.72A 3si7C-2qz6A:
undetectable
3si7D-2qz6A:
undetectable		 3si7C-2qz6A:
21.00
3si7D-2qz6A:
21.00
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		4 GLY A 468
GLY A 448
THR A 451
LEU A 516
 None
 0.93A 3si7C-2qzpA:
undetectable
3si7D-2qzpA:
undetectable		 3si7C-2qzpA:
20.36
3si7D-2qzpA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		4 GLY A 227
GLY A 224
THR A 209
LEU A 211
 None
 0.89A 3si7C-2vdjA:
undetectable
3si7D-2vdjA:
undetectable		 3si7C-2vdjA:
23.15
3si7D-2vdjA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 GLY A 304
GLY A  56
THR A 103
LEU A 130
 None
 0.74A 3si7C-2w61A:
undetectable
3si7D-2w61A:
undetectable		 3si7C-2w61A:
19.10
3si7D-2w61A:
19.10
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		4 GLY A  43
GLY A 436
THR A 434
LEU A 191
 None
None
SO4  A1481 (-4.0A)
None
 0.87A 3si7C-2xhyA:
undetectable
3si7D-2xhyA:
undetectable		 3si7C-2xhyA:
18.30
3si7D-2xhyA:
18.30
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.
2xi1 NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLY A 132
GLY A 130
THR A 128
LEU A 198
 None
 0.73A 3si7C-2xi1A:
undetectable
3si7D-2xi1A:
undetectable		 3si7C-2xi1A:
18.34
3si7D-2xi1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A  63
GLY A 317
THR A 319
LEU A 324
 None
 0.91A 3si7C-2xn6A:
undetectable
3si7D-2xn6A:
undetectable		 3si7C-2xn6A:
20.44
3si7D-2xn6A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		4 GLY A 182
GLY A 180
THR A 211
LEU A 228
 None
 0.93A 3si7C-3bq9A:
undetectable
3si7D-3bq9A:
undetectable		 3si7C-3bq9A:
21.35
3si7D-3bq9A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		4 GLY A 113
GLY A 110
THR A  96
LEU A  98
 None
 0.84A 3si7C-3brnA:
undetectable
3si7D-3brnA:
undetectable		 3si7C-3brnA:
18.18
3si7D-3brnA:
18.18
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		4 GLY A 271
GLY A 311
THR A 309
LEU A  78
 None
 0.92A 3si7C-3bs8A:
undetectable
3si7D-3bs8A:
undetectable		 3si7C-3bs8A:
22.94
3si7D-3bs8A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		4 GLY A 234
GLY A 236
THR A 256
LEU A 345
 PGE  A 404 ( 4.5A)
None
None
None
 0.88A 3si7C-3fnbA:
undetectable
3si7D-3fnbA:
undetectable		 3si7C-3fnbA:
23.08
3si7D-3fnbA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		4 GLY A 207
GLY A 150
THR A 148
LEU A 210
 None
 0.90A 3si7C-3hheA:
undetectable
3si7D-3hheA:
undetectable		 3si7C-3hheA:
23.81
3si7D-3hheA:
23.81
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.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 GLY A   7
GLY A  33
THR A  36
LEU A  17
 None
 0.77A 3si7C-3k94A:
undetectable
3si7D-3k94A:
undetectable		 3si7C-3k94A:
23.20
3si7D-3k94A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 GLY A   8
GLY A  33
THR A  36
LEU A  14
 None
 0.93A 3si7C-3k94A:
undetectable
3si7D-3k94A:
undetectable		 3si7C-3k94A:
23.20
3si7D-3k94A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		4 GLY A  67
GLY A 112
THR A 135
LEU A 139
 None
 0.87A 3si7C-3kqfA:
undetectable
3si7D-3kqfA:
undetectable		 3si7C-3kqfA:
22.80
3si7D-3kqfA:
22.80
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.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Babesia bovis) 		PF00274
(Glycolytic) 		4 GLY A  67
GLY A  65
THR A  63
LEU A 325
 None
 0.87A 3si7C-3kx6A:
undetectable
3si7D-3kx6A:
undetectable		 3si7C-3kx6A:
21.17
3si7D-3kx6A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 GLY A  36
GLY A  34
THR A  19
LEU A  16
 SO4  A 501 (-4.0A)
EDO  A 502 ( 4.9A)
None
None
 0.93A 3si7C-3mebA:
undetectable
3si7D-3mebA:
undetectable		 3si7C-3mebA:
23.13
3si7D-3mebA:
23.13
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		4 GLY A  25
GLY A  28
THR A  30
LEU A 328
 FAD  A 401 (-3.4A)
None
None
None
 0.82A 3si7C-3p9uA:
undetectable
3si7D-3p9uA:
undetectable		 3si7C-3p9uA:
20.05
3si7D-3p9uA:
20.05
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.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		4 GLY B  38
GLY B  40
THR B  45
LEU B  69
 None
 0.94A 3si7C-3r9xB:
undetectable
3si7D-3r9xB:
undetectable		 3si7C-3r9xB:
23.59
3si7D-3r9xB:
23.59
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.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		4 GLY B  39
GLY B  40
THR B  45
LEU B  69
 None
 0.88A 3si7C-3r9xB:
undetectable
3si7D-3r9xB:
undetectable		 3si7C-3r9xB:
23.59
3si7D-3r9xB:
23.59
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		4 GLY A  21
GLY A 323
THR A 320
LEU A 336
 None
 0.95A 3si7C-3rpdA:
undetectable
3si7D-3rpdA:
undetectable		 3si7C-3rpdA:
22.37
3si7D-3rpdA:
22.37
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.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		4 GLY A 190
GLY A 355
THR A 294
LEU A 309
 None
 0.90A 3si7C-3t2nA:
undetectable
3si7D-3t2nA:
undetectable		 3si7C-3t2nA:
19.54
3si7D-3t2nA:
19.54
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.
3t69 PUTATIVE
2-DEHYDRO-3-DEOXYGAL
ACTONOKINASE

(Sinorhizobium
meliloti) 		PF05035
(DGOK) 		4 GLY A  71
GLY A 127
THR A 130
LEU A 298
 None
 0.77A 3si7C-3t69A:
undetectable
3si7D-3t69A:
undetectable		 3si7C-3t69A:
20.64
3si7D-3t69A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		4 GLY A  48
GLY A  50
THR A  53
LEU A  88
 None
 0.92A 3si7C-3uzuA:
undetectable
3si7D-3uzuA:
undetectable		 3si7C-3uzuA:
22.64
3si7D-3uzuA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  79
GLY A  82
THR A  84
LEU A  36
 CL  A 507 (-3.7A)
None
None
None
 0.89A 3si7C-3v4bA:
undetectable
3si7D-3v4bA:
undetectable		 3si7C-3v4bA:
23.34
3si7D-3v4bA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgo MESO-DIAMINOPIMELATE
DEHYDROGENASE

(Clostridium
tetani) 		PF16654
(DAPDH_C) 		4 GLY A  13
GLY A  11
THR A  36
LEU A  50
 None
 0.76A 3si7C-3wgoA:
undetectable
3si7D-3wgoA:
undetectable		 3si7C-3wgoA:
22.16
3si7D-3wgoA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		4 GLY A 507
GLY A 485
THR A 560
LEU A 556
 None
 0.78A 3si7C-4aahA:
undetectable
3si7D-4aahA:
undetectable		 3si7C-4aahA:
18.78
3si7D-4aahA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		4 GLY A 186
GLY A 184
THR A 182
LEU A 237
 GOL  A 405 ( 4.2A)
GOL  A 405 (-3.5A)
None
None
 0.77A 3si7C-4ctaA:
undetectable
3si7D-4ctaA:
undetectable		 3si7C-4ctaA:
21.34
3si7D-4ctaA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		4 GLY A 140
GLY A 138
THR A 136
LEU A 398
 None
 0.93A 3si7C-4d2jA:
undetectable
3si7D-4d2jA:
undetectable		 3si7C-4d2jA:
22.19
3si7D-4d2jA:
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.
4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 GLY A 125
GLY A 121
THR A 119
LEU A 132
 None
 0.86A 3si7C-4e21A:
undetectable
3si7D-4e21A:
undetectable		 3si7C-4e21A:
20.87
3si7D-4e21A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 GLY A 190
GLY A 193
THR A 195
LEU A  32
 None
 0.76A 3si7C-4e6eA:
undetectable
3si7D-4e6eA:
undetectable		 3si7C-4e6eA:
23.48
3si7D-4e6eA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4en2 PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLY B 132
GLY B 130
THR B 128
LEU B 198
 None
 0.68A 3si7C-4en2B:
undetectable
3si7D-4en2B:
undetectable		 3si7C-4en2B:
18.60
3si7D-4en2B:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gud IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Vibrio cholerae) 		PF00117
(GATase) 		4 GLY A  81
GLY A  48
THR A  10
LEU A  59
 None
 0.90A 3si7C-4gudA:
undetectable
3si7D-4gudA:
undetectable		 3si7C-4gudA:
21.68
3si7D-4gudA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 GLY A 227
GLY A 225
THR A 177
LEU A 159
 None
 0.87A 3si7C-4h8aA:
undetectable
3si7D-4h8aA:
undetectable		 3si7C-4h8aA:
22.63
3si7D-4h8aA:
22.63
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.
4hcj THIJ/PFPI DOMAIN
PROTEIN

(Brachyspira
murdochii) 		PF01965
(DJ-1_PfpI) 		4 GLY A 107
GLY A 103
THR A 152
LEU A 117
 None
 0.95A 3si7C-4hcjA:
undetectable
3si7D-4hcjA:
undetectable		 3si7C-4hcjA:
21.80
3si7D-4hcjA:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		4 GLY L 401
GLY L 399
THR L 392
LEU L 308
 None
 0.78A 3si7C-4heaL:
undetectable
3si7D-4heaL:
undetectable		 3si7C-4heaL:
19.97
3si7D-4heaL:
19.97
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		4 GLY A  52
GLY A  50
THR A  48
LEU A  35
 None
 0.77A 3si7C-4hwvA:
undetectable
3si7D-4hwvA:
undetectable		 3si7C-4hwvA:
17.62
3si7D-4hwvA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		4 GLY A  10
GLY A  16
THR A  20
LEU A  44
 NAD  A 402 ( 3.8A)
None
None
None
 0.92A 3si7C-4lisA:
undetectable
3si7D-4lisA:
undetectable		 3si7C-4lisA:
20.62
3si7D-4lisA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		4 GLY A 151
GLY A  45
THR A 279
LEU A 277
 FDA  A 801 (-4.5A)
None
None
None
 0.93A 3si7C-4mifA:
undetectable
3si7D-4mifA:
undetectable		 3si7C-4mifA:
18.58
3si7D-4mifA:
18.58
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.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1

(Homo sapiens) 		PF00415
(RCC1) 		4 GLY A4351
GLY A4035
THR A4039
LEU A4010
 None
 0.90A 3si7C-4o2wA:
undetectable
3si7D-4o2wA:
undetectable		 3si7C-4o2wA:
23.77
3si7D-4o2wA:
23.77
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.
4orz PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		4 GLY B 136
GLY B 134
THR B 132
LEU B 202
 None
 0.68A 3si7C-4orzB:
undetectable
3si7D-4orzB:
undetectable		 3si7C-4orzB:
18.95
3si7D-4orzB:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 626
GLY A 606
THR A 609
LEU A 670
 None
 0.90A 3si7C-4q1vA:
undetectable
3si7D-4q1vA:
undetectable		 3si7C-4q1vA:
15.99
3si7D-4q1vA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		4 GLY A 199
GLY A 202
THR A 204
LEU A 176
 None
 0.89A 3si7C-4rfqA:
1.8
3si7D-4rfqA:
undetectable		 3si7C-4rfqA:
26.36
3si7D-4rfqA:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uob ENDONUCLEASE III-3

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		4 GLY A 227
GLY A 229
THR A 232
LEU A 128
 None
ACT  A1335 (-3.4A)
ACT  A1335 (-3.7A)
None
 0.85A 3si7C-4uobA:
undetectable
3si7D-4uobA:
undetectable		 3si7C-4uobA:
21.29
3si7D-4uobA:
21.29
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 GLY A 165
GLY A 194
THR A 206
LEU A 204
 None
 0.79A 3si7C-4wjsA:
undetectable
3si7D-4wjsA:
undetectable		 3si7C-4wjsA:
22.24
3si7D-4wjsA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		4 GLY A 285
GLY A 295
THR A 137
LEU A 133
 None
 0.71A 3si7C-4x68A:
undetectable
3si7D-4x68A:
undetectable		 3si7C-4x68A:
21.07
3si7D-4x68A:
21.07
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.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		4 GLY A  73
GLY A 314
THR A 321
LEU A 259
 None
 0.81A 3si7C-4y7pA:
undetectable
3si7D-4y7pA:
undetectable		 3si7C-4y7pA:
21.54
3si7D-4y7pA:
21.54
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		4 GLY A 251
GLY A 293
THR A 305
LEU A 303
 NA  A 601 ( 4.4A)
NA  A 601 (-3.6A)
None
None
 0.85A 3si7C-4yvdA:
undetectable
3si7D-4yvdA:
undetectable		 3si7C-4yvdA:
21.52
3si7D-4yvdA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7x MDBA

(Actinomyces
oris) 		PF13462
(Thioredoxin_4) 		4 GLY A 118
GLY A 116
THR A 114
LEU A  93
 3CX  A 501 (-3.2A)
3CX  A 501 (-3.1A)
None
None
 0.72A 3si7C-4z7xA:
undetectable
3si7D-4z7xA:
undetectable		 3si7C-4z7xA:
18.37
3si7D-4z7xA:
18.37
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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		4 GLY A  13
GLY A  16
THR A  18
LEU A 331
 FAD  A 501 (-3.4A)
None
None
None
 0.91A 3si7C-5bukA:
undetectable
3si7D-5bukA:
undetectable		 3si7C-5bukA:
20.82
3si7D-5bukA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		4 GLY A  32
GLY A  49
THR A  47
LEU A  36
 None
 0.90A 3si7C-5cvoA:
undetectable
3si7D-5cvoA:
undetectable		 3si7C-5cvoA:
19.24
3si7D-5cvoA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0n PYRUVATE, PHOSPHATE
DIKINASE REGULATORY
PROTEIN,
CHLOROPLASTIC

(Zea mays) 		PF03618
(Kinase-PPPase) 		4 GLY A 146
GLY A 148
THR A 150
LEU A 229
 AMP  A 501 (-3.6A)
MG  A 502 ( 3.3A)
AMP  A 501 ( 3.6A)
None
 0.65A 3si7C-5d0nA:
undetectable
3si7D-5d0nA:
undetectable		 3si7C-5d0nA:
21.45
3si7D-5d0nA:
21.45
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.
5hm9 MAMO PROTEASE DOMAIN

(Magnetospirillum
magneticum) 		PF13365
(Trypsin_2) 		4 GLY A  44
GLY A  58
THR A  69
LEU A 109
 None
 0.94A 3si7C-5hm9A:
undetectable
3si7D-5hm9A:
undetectable		 3si7C-5hm9A:
18.40
3si7D-5hm9A:
18.40
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 4 GLY B 342
GLY B 340
THR B 818
LEU B 292
 None
 0.81A 3si7C-5khnB:
undetectable
3si7D-5khnB:
undetectable		 3si7C-5khnB:
15.62
3si7D-5khnB:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhs UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		no annotation 4 GLY B  44
GLY B 197
THR B 139
LEU B 155
 None
 0.93A 3si7C-5lhsB:
undetectable
3si7D-5lhsB:
undetectable		 3si7C-5lhsB:
22.51
3si7D-5lhsB:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		4 GLY A 727
GLY A 748
THR A 750
LEU A 722
 None
 0.94A 3si7C-5n8pA:
undetectable
3si7D-5n8pA:
undetectable		 3si7C-5n8pA:
13.61
3si7D-5n8pA:
13.61
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		4 GLY A 727
GLY A 748
THR A 750
LEU A 722
 None
 0.93A 3si7C-5n97A:
undetectable
3si7D-5n97A:
undetectable		 3si7C-5n97A:
15.94
3si7D-5n97A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 382
GLY A 334
THR A 331
LEU A 391
 CAP  A1001 (-3.8A)
None
None
None
 0.81A 3si7C-5nv3A:
undetectable
3si7D-5nv3A:
undetectable		 3si7C-5nv3A:
19.36
3si7D-5nv3A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uld TRANSPORTER, NADC
FAMILY

(Vibrio cholerae) 		PF00939
(Na_sulph_symp) 		4 GLY A 269
GLY A 266
THR A 264
LEU A 303
 None
 0.94A 3si7C-5uldA:
undetectable
3si7D-5uldA:
undetectable		 3si7C-5uldA:
19.78
3si7D-5uldA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 GLY A  11
GLY A 328
THR A   8
LEU A 346
 None
 0.89A 3si7C-5xfaA:
undetectable
3si7D-5xfaA:
undetectable		 3si7C-5xfaA:
18.23
3si7D-5xfaA:
18.23
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 4 GLY A 636
GLY A 616
THR A 619
LEU A 681
 None
 0.94A 3si7C-5yp3A:
undetectable
3si7D-5yp3A:
undetectable		 3si7C-5yp3A:
undetectable
3si7D-5yp3A:
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.
6b72 PROTEIN NEF

(Human
immunodeficiency
virus 1) 		no annotation 4 GLY A 132
GLY A 130
THR A 128
LEU A 198
 None
 0.78A 3si7C-6b72A:
undetectable
3si7D-6b72A:
undetectable		 3si7C-6b72A:
undetectable
3si7D-6b72A:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 GLY A 695
GLY A 698
THR A 700
LEU A 769
 None
 0.89A 3si7C-6fikA:
undetectable
3si7D-6fikA:
undetectable		 3si7C-6fikA:
undetectable
3si7D-6fikA:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLY A  33
GLY A  18
THR A   4
LEU A   2
 None
 0.77A 3si7C-6fv4A:
undetectable
3si7D-6fv4A:
undetectable		 3si7C-6fv4A:
undetectable
3si7D-6fv4A:
undetectable