SIMILAR PATTERNS OF AMINO ACIDS FOR 3ADX_B_IMNB3_1

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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 GLY A 134
ARG A 113
ILE A 214
VAL A 120
ILE A 116
 None
 0.93A 3adxB-1dhsA:
0.0		 3adxB-1dhsA:
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.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		5 LEU A  55
LEU A  33
LEU A  36
VAL A  38
ILE A 160
 None
 1.02A 3adxB-1ekeA:
undetectable		 3adxB-1ekeA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 LEU A 242
ARG A 182
LEU A 201
LEU A 204
ILE A 180
 None
 0.82A 3adxB-1fhfA:
0.5		 3adxB-1fhfA:
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1

(Homo sapiens) 		PF00415
(RCC1) 		6 GLY B 357
SER B 406
ALA B  74
LEU B 413
VAL B 401
MET B 391
 None
 1.24A 3adxB-1i2mB:
undetectable		 3adxB-1i2mB:
21.78
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.
1ihc GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth) 		5 LEU A  48
GLY A  18
ILE A 166
LEU A 162
LEU A 159
 None
 0.93A 3adxB-1ihcA:
undetectable		 3adxB-1ihcA:
22.60
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.
1k20 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
gordonii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ALA A 243
ILE A 240
LEU A 254
VAL A 221
ILE A 204
 None
None
None
GOL  A 710 (-4.2A)
GOL  A 710 ( 4.7A)
 0.96A 3adxB-1k20A:
undetectable		 3adxB-1k20A:
22.02
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.
1k9o ALASERPIN

(Manduca sexta) 		PF00079
(Serpin) 		5 GLY I 381
ILE I 363
LEU I 281
VAL I 335
MET I 241
 None
 1.01A 3adxB-1k9oI:
0.6		 3adxB-1k9oI:
21.65
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.
1kaq NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 GLY A   8
ILE A   4
LEU A  31
LEU A  26
VAL A  25
 DND  A 601 (-3.9A)
None
None
None
None
 0.88A 3adxB-1kaqA:
0.0		 3adxB-1kaqA:
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.
1ko8 GLUCONATE KINASE

(Escherichia
coli) 		PF01202
(SKI) 		5 GLY A  18
ALA A 123
LEU A 160
VAL A 163
ILE A 156
 6PG  A 502 (-3.7A)
None
None
None
None
 0.86A 3adxB-1ko8A:
0.0		 3adxB-1ko8A:
21.13
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 GLY A 167
ALA A 155
ILE A 180
LEU A 182
LEU A 183
 None
 1.02A 3adxB-1ljyA:
0.0		 3adxB-1ljyA:
22.38
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  36
ALA A 141
ILE A  10
LEU A   9
VAL A 126
 FAD  A 459 (-3.6A)
FAD  A 459 (-4.5A)
None
None
None
 1.00A 3adxB-1lvlA:
undetectable		 3adxB-1lvlA:
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		6 LEU A  74
GLY A 185
ALA A 101
LEU A 130
LEU A 133
VAL A 477
 None
 1.33A 3adxB-1m7jA:
undetectable		 3adxB-1m7jA:
20.29
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 393
GLY A 426
ALA A 405
ILE A 451
LEU A 463
 None
ADP  A1731 (-3.3A)
None
None
None
 0.97A 3adxB-1o94A:
undetectable		 3adxB-1o94A:
17.67
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.
1obg PHOSPHORIBOSYLAMIDOI
MIDAZOLE-
SUCCINOCARBOXAMIDE
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01259
(SAICAR_synt) 		5 LEU A 102
ILE A  79
LEU A 108
LEU A  32
VAL A  26
 None
AMP  A 309 (-4.4A)
AMP  A 309 (-4.7A)
None
None
 0.86A 3adxB-1obgA:
undetectable		 3adxB-1obgA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		5 LEU A 280
GLY A 248
ALA A 297
LEU A 290
LEU A 260
 None
None
NAG  A1317 ( 4.0A)
None
None
 1.00A 3adxB-1ogqA:
undetectable		 3adxB-1ogqA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 ALA A 106
LEU A 329
LEU A 332
VAL A 333
MET A 126
 None
 0.93A 3adxB-1osnA:
undetectable		 3adxB-1osnA:
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.
1q4x THYROID HORMONE
RECEPTOR BETA-1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 SER A 314
ALA A 317
ILE A 353
LEU A 346
ILE A 276
 G24  A 462 ( 4.7A)
G24  A 462 ( 4.1A)
None
G24  A 462 (-4.0A)
G24  A 462 ( 4.3A)
 0.91A 3adxB-1q4xA:
21.4		 3adxB-1q4xA:
27.53
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 LEU A 203
GLY A 164
SER A 166
VAL A 266
ILE A 212
 None
 1.02A 3adxB-1ralA:
undetectable		 3adxB-1ralA:
24.40
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.
1rqb TRANSCARBOXYLASE 5S
SUBUNIT

(Propionibacterium
freudenreichii) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		6 LEU A 183
SER A 218
ALA A 188
LEU A 227
LEU A 214
VAL A 238
 KCX  A 184 ( 4.0A)
None
None
None
None
None
 1.49A 3adxB-1rqbA:
undetectable		 3adxB-1rqbA:
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.
1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442

(Thermotoga
maritima) 		PF01740
(STAS) 		5 LEU A  81
LEU A  62
LEU A  65
VAL A  66
ILE A 100
 None
SEP  A  59 ( 3.9A)
None
None
None
 0.94A 3adxB-1t6rA:
undetectable		 3adxB-1t6rA:
21.15
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.
1t98 CHROMOSOME PARTITION
PROTEIN MUKF

(Escherichia
coli) 		PF03882
(KicB)
PF17192
(MukF_M) 		6 LEU A  24
ALA A  77
ILE A  78
LEU A  87
LEU A  86
MET A  47
 None
 1.44A 3adxB-1t98A:
undetectable		 3adxB-1t98A:
27.51
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.
1u78 TRANSPOSABLE ELEMENT
TC3 TRANSPOSASE

(Caenorhabditis
elegans) 		PF01498
(HTH_Tnp_Tc3_2)
PF11427
(HTH_Tnp_Tc3_1) 		5 ARG A  84
SER A  92
LEU A  61
VAL A  69
ILE A  83
 None
 1.02A 3adxB-1u78A:
undetectable		 3adxB-1u78A:
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.
1v33 DNA PRIMASE SMALL
SUBUNIT

(Pyrococcus
horikoshii) 		PF01896
(DNA_primase_S) 		5 SER A 146
ALA A 305
LEU A 291
VAL A  93
ILE A 152
 PO4  A 701 ( 3.9A)
None
None
None
None
 1.02A 3adxB-1v33A:
undetectable		 3adxB-1v33A:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdu TRAS1 ORF2P

(Bombyx mori) 		PF14529
(Exo_endo_phos_2) 		5 GLY A  67
ALA A  52
ILE A  54
LEU A 232
ILE A  42
 None
 0.99A 3adxB-1wduA:
undetectable		 3adxB-1wduA:
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.
1wh4 INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4

(Mus musculus) 		no annotation 5 GLY A  89
ALA A  45
ILE A  98
LEU A  77
ILE A  18
 None
 1.03A 3adxB-1wh4A:
undetectable		 3adxB-1wh4A:
19.01
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.
1wrb DJVLGB

(Dugesia
japonica) 		PF00270
(DEAD) 		5 CYH A 227
SER A 377
ALA A 344
ILE A 384
ILE A 224
 None
 1.00A 3adxB-1wrbA:
undetectable		 3adxB-1wrbA:
22.33
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.
1wrb DJVLGB

(Dugesia
japonica) 		PF00270
(DEAD) 		5 CYH A 227
SER A 377
ALA A 344
ILE A 384
LEU A 392
 None
 1.01A 3adxB-1wrbA:
undetectable		 3adxB-1wrbA:
22.33
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.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A  90
ILE A  51
LEU A  22
VAL A  20
ILE A  37
 None
 0.82A 3adxB-1y8tA:
undetectable		 3adxB-1y8tA:
20.29
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.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		5 LEU A 214
GLY A  54
ALA A 162
ILE A  12
LEU A  11
 None
SO4  A1007 (-3.1A)
None
None
None
 1.03A 3adxB-1z9dA:
undetectable		 3adxB-1z9dA:
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.
2d1v TRANSCRIPTIONAL
REGULATORY PROTEIN
YYCF

(Bacillus
subtilis) 		PF00486
(Trans_reg_C) 		5 GLY A 138
ILE A 209
LEU A 166
LEU A 169
ILE A 173
 None
 0.99A 3adxB-2d1vA:
undetectable		 3adxB-2d1vA:
17.01
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.
2dwg PROTEIN RUFY3

(Mus musculus) 		PF02759
(RUN) 		5 LEU A 101
ALA A  94
ILE A 226
LEU A 230
LEU A 233
 None
 0.95A 3adxB-2dwgA:
undetectable		 3adxB-2dwgA:
22.81
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 GLY A 101
SER A 206
ALA A 210
ILE A  27
LEU A   8
 None
 0.98A 3adxB-2eq5A:
undetectable		 3adxB-2eq5A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ew2 2-DEHYDROPANTOATE
2-REDUCTASE,
PUTATIVE

(Enterococcus
faecalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 LEU A 150
GLY A 109
LEU A 102
VAL A 101
ILE A 123
 None
 0.89A 3adxB-2ew2A:
undetectable		 3adxB-2ew2A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		5 LEU A  80
GLY A 110
LEU A  14
VAL A  84
ILE A 102
 GOL  A 401 (-4.4A)
NO3  A 303 (-2.8A)
None
None
NO3  A 302 (-4.3A)
 1.02A 3adxB-2fckA:
undetectable		 3adxB-2fckA:
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.
2fxv XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran) 		5 GLY A 149
SER A 146
ALA A 145
VAL A  74
ILE A  54
 None
 0.93A 3adxB-2fxvA:
undetectable		 3adxB-2fxvA:
22.18
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A 610
ILE A 682
LEU A 649
VAL A 617
ILE A 607
 None
 0.94A 3adxB-2g3nA:
undetectable		 3adxB-2g3nA:
18.22
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 GLY A 273
SER A 288
ALA A 289
VAL A 250
ILE A 246
 None
NIS  A 500 ( 3.2A)
None
None
None
 0.92A 3adxB-2gjnA:
undetectable		 3adxB-2gjnA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 GLY A 221
ILE A 373
LEU A 372
LEU A 273
VAL A 270
 None
 0.99A 3adxB-2gk9A:
undetectable		 3adxB-2gk9A:
18.53
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 GLY A 231
ILE A 219
LEU A 216
VAL A 244
ILE A 241
 SUC  A 290 ( 4.5A)
None
None
None
None
 0.97A 3adxB-2gupA:
undetectable		 3adxB-2gupA:
23.87
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		6 LEU A  43
GLY A  81
SER A  83
LEU A  97
VAL A  59
ILE A  79
 None
 1.21A 3adxB-2gupA:
undetectable		 3adxB-2gupA:
23.87
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		5 GLY A  17
ALA A 147
ILE A 145
LEU A  74
VAL A  72
 None
 0.90A 3adxB-2h9fA:
undetectable		 3adxB-2h9fA:
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.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ILE A 513
LEU A 516
VAL A 486
ILE A 482
MET A 502
 None
 0.95A 3adxB-2hroA:
undetectable		 3adxB-2hroA:
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.
2i6l MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 297
ALA A 289
ILE A 285
LEU A 231
ILE A 221
 None
 1.01A 3adxB-2i6lA:
undetectable		 3adxB-2i6lA:
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.
2iab HYPOTHETICAL PROTEIN

(Streptomyces
avermitilis) 		PF01243
(Putative_PNPOx) 		5 LEU A  46
GLY A  87
ALA A  26
ILE A  76
LEU A  20
 None
 1.01A 3adxB-2iabA:
undetectable		 3adxB-2iabA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		5 GLY A 285
ALA A 252
ILE A 279
LEU A 260
ILE A 242
 None
 0.98A 3adxB-2infA:
undetectable		 3adxB-2infA:
24.06
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.
2kbe ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		5 LEU A 267
GLY A 214
ALA A 165
LEU A 230
VAL A 257
 None
 1.02A 3adxB-2kbeA:
undetectable		 3adxB-2kbeA:
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.
2lao LYSINE, ARGININE,
ORNITHINE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 ALA A  82
LEU A 206
VAL A   6
ILE A   8
MET A  41
 None
 0.97A 3adxB-2laoA:
undetectable		 3adxB-2laoA:
25.32
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		5 LEU A 125
SER A  57
ILE A  75
LEU A 101
ILE A  79
 None
 0.95A 3adxB-2psfA:
undetectable		 3adxB-2psfA:
20.99
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.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 GLY A 186
ALA A 217
ILE A 357
LEU A 313
VAL A 230
 None
 0.95A 3adxB-2q6tA:
undetectable		 3adxB-2q6tA:
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		6 GLY A  32
ILE A 126
LEU A 125
LEU A 116
VAL A 115
ILE A 111
 None
 1.44A 3adxB-2r3bA:
undetectable		 3adxB-2r3bA:
23.43
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.
2vc6 DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 GLY A  42
CYH A  41
ILE A  18
LEU A  23
VAL A  27
 MCL  A 161 ( 3.4A)
None
None
None
None
 0.98A 3adxB-2vc6A:
undetectable		 3adxB-2vc6A:
26.39
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.
2vc6 DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		6 LEU A 256
CYH A  41
ILE A  18
LEU A  23
LEU A  26
VAL A  27
 None
 1.27A 3adxB-2vc6A:
undetectable		 3adxB-2vc6A:
26.39
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.
2xka FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 LEU A 132
ILE A 153
LEU A 205
VAL A 208
ILE A 166
 None
 1.03A 3adxB-2xkaA:
undetectable		 3adxB-2xkaA:
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLY A 194
ALA A 255
ILE A 207
LEU A 204
VAL A 159
 None
 1.00A 3adxB-2ybuA:
undetectable		 3adxB-2ybuA:
20.99
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A  84
GLY A  16
ILE A  29
VAL A  52
ILE A  34
 None
 0.79A 3adxB-3a14A:
undetectable		 3adxB-3a14A:
24.55
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 SER A  35
ALA A  56
ILE A  77
LEU A  81
ILE A  32
 None
 0.89A 3adxB-3a14A:
undetectable		 3adxB-3a14A:
24.55
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 SER A  35
ALA A  56
ILE A  77
LEU A  81
LEU A  84
 None
 0.98A 3adxB-3a14A:
undetectable		 3adxB-3a14A:
24.55
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.
3aqg ZYMOGEN GRANULE
PROTEIN 16 HOMOLOG B

(Homo sapiens) 		PF01419
(Jacalin) 		5 GLY A 180
ILE A  74
LEU A  77
VAL A  79
MET A 135
 None
 0.98A 3adxB-3aqgA:
undetectable		 3adxB-3aqgA:
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.
3ayt PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB071

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 LEU A 181
GLY A  98
LEU A 157
LEU A 150
VAL A 149
 None
 0.98A 3adxB-3aytA:
undetectable		 3adxB-3aytA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 LEU A 228
GLY A 284
ARG A 288
SER A 289
ALA A 292
ILE A 326
LEU A 330
LEU A 333
VAL A 339
ILE A 341
MET A 364
 None
MC5  A   1 ( 4.5A)
None
MC5  A   1 (-2.6A)
None
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
None
MC5  A   1 (-4.6A)
MC5  A   1 (-4.5A)
MC5  A   1 (-3.7A)
 0.57A 3adxB-3b0qA:
36.8		 3adxB-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 LEU A 228
GLY A 284
CYH A 285
ARG A 288
ALA A 292
LEU A 330
LEU A 333
VAL A 339
MET A 364
 None
MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
None
None
MC5  A   1 (-4.4A)
None
MC5  A   1 (-4.6A)
MC5  A   1 (-3.7A)
 0.80A 3adxB-3b0qA:
36.8		 3adxB-3b0qA:
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.
3dfu UNCHARACTERIZED
PROTEIN FROM
6-PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
FAMILY

(Corynebacterium
glutamicum) 		PF10727
(Rossmann-like) 		5 LEU A  71
GLY A  89
ILE A  40
LEU A  45
ILE A  91
 None
 1.00A 3adxB-3dfuA:
undetectable		 3adxB-3dfuA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		11 LEU D 228
GLY D 284
CYH D 285
SER D 289
ALA D 292
ILE D 326
LEU D 330
LEU D 333
VAL D 339
ILE D 341
MET D 364
 None
PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.5A)
PLB  D 701 ( 4.1A)
PLB  D 701 (-4.4A)
None
PLB  D 701 (-3.6A)
PLB  D 701 ( 4.8A)
 0.61A 3adxB-3dzuD:
34.2		 3adxB-3dzuD:
94.41
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.
3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN-AS
SOCIATED PROTEIN B

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 LEU E   9
GLY E  72
LEU E  39
LEU E  14
VAL E  16
 None
U  C  99 ( 3.5A)
None
None
None
 0.97A 3adxB-3jb9E:
undetectable		 3adxB-3jb9E:
21.60
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		5 LEU A 176
ALA A 166
ILE A 163
LEU A 153
ILE A  93
 None
 1.01A 3adxB-3l7yA:
undetectable		 3adxB-3l7yA:
23.33
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.
3l9r CD1B3

(Bos taurus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 LEU A 104
GLY A  30
LEU A 181
LEU A 174
VAL A 173
 None
L9R  A 284 ( 4.8A)
None
None
None
 0.97A 3adxB-3l9rA:
undetectable		 3adxB-3l9rA:
23.47
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		6 LEU A  41
GLY A 163
ALA A  20
LEU A  95
VAL A 123
ILE A 124
 None
None
FMN  A 313 (-3.5A)
None
None
None
 1.38A 3adxB-3mhuA:
undetectable		 3adxB-3mhuA:
22.45
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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ILE A 123
LEU A 127
LEU A 130
VAL A 136
ILE A  56
 None
 1.00A 3adxB-3n92A:
undetectable		 3adxB-3n92A:
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 LEU A 742
GLY A 712
ILE A 700
LEU A 697
LEU A 722
 None
 0.98A 3adxB-3nowA:
undetectable		 3adxB-3nowA:
17.15
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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 LEU A 155
GLY A  90
SER A 117
VAL A  86
ILE A 114
 None
 1.00A 3adxB-3ntxA:
undetectable		 3adxB-3ntxA:
22.44
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Listeria
monocytogenes) 		PF02350
(Epimerase_2) 		5 GLY A 286
ALA A 268
LEU A 275
LEU A 204
VAL A 281
 None
 0.91A 3adxB-3ot5A:
undetectable		 3adxB-3ot5A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qg5 RAD50

(Thermotoga
maritima) 		PF13476
(AAA_23)
PF13558
(SbcCD_C) 		6 LEU A 148
GLY A 770
ALA A 764
ILE A 755
LEU A 779
ILE A 777
 GOL  A3968 ( 4.4A)
None
None
None
None
None
 1.04A 3adxB-3qg5A:
undetectable		 3adxB-3qg5A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3te6 REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 698
ALA A 615
ILE A 665
LEU A 664
VAL A 589
 None
 0.89A 3adxB-3te6A:
undetectable		 3adxB-3te6A:
23.05
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 294
ILE A 352
LEU A 361
VAL A 326
ILE A 291
 None
 0.91A 3adxB-3tm5A:
undetectable		 3adxB-3tm5A:
22.57
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 SER B 190
ALA B  11
LEU B 135
LEU B  56
VAL B 146
 None
 0.98A 3adxB-3vsjB:
undetectable		 3adxB-3vsjB:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w77 FMN-DEPENDENT
NADH-AZOREDUCTASE

(Bacillus sp.
B29) 		PF02525
(Flavodoxin_2) 		5 GLY A 145
ALA A  17
LEU A  22
LEU A 198
ILE A 193
 FMN  A 301 (-3.2A)
FMN  A 301 (-3.6A)
None
None
None
 1.02A 3adxB-3w77A:
undetectable		 3adxB-3w77A:
23.02
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.
3zrp SERINE-PYRUVATE
AMINOTRANSFERASE
(AGXT)

(Sulfolobus
solfataricus) 		PF00266
(Aminotran_5) 		5 GLY A 192
ILE A  58
LEU A  44
VAL A  47
ILE A 259
 None
 1.00A 3adxB-3zrpA:
undetectable		 3adxB-3zrpA:
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.
4b93 ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 27

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		6 LEU B 674
GLY B 771
ALA B 752
ILE B 760
LEU B 763
VAL B 737
 None
 1.31A 3adxB-4b93B:
undetectable		 3adxB-4b93B:
24.10
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.
4blq P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 LEU A 200
ALA A 234
ILE A 109
LEU A 215
LEU A 173
 None
 1.03A 3adxB-4blqA:
undetectable		 3adxB-4blqA:
22.52
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 LEU A 200
ALA A 234
ILE A 109
LEU A 215
LEU A 173
 None
 0.95A 3adxB-4bwyA:
undetectable		 3adxB-4bwyA:
22.38
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.
4cmf AMINOTRANSFERASE

([Nectria]
haematococca) 		PF01063
(Aminotran_4) 		5 ALA A 266
ILE A 269
LEU A 270
VAL A 242
ILE A 253
 None
 1.00A 3adxB-4cmfA:
undetectable		 3adxB-4cmfA:
22.52
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.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		5 GLY A 305
ILE A 318
LEU A 314
LEU A 313
VAL A 232
 None
 1.00A 3adxB-4co6A:
undetectable		 3adxB-4co6A:
23.28
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		5 LEU A 886
GLY A 810
ILE A 837
LEU A 857
ILE A 841
 None
 0.97A 3adxB-4ecnA:
undetectable		 3adxB-4ecnA:
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 199
GLY A  35
ILE A 171
LEU A 174
ILE A 311
 EDO  A 410 (-4.1A)
None
CL  A 419 ( 4.8A)
None
None
 1.02A 3adxB-4ej6A:
undetectable		 3adxB-4ej6A:
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.
4eo9 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Mycobacterium
leprae) 		PF00300
(His_Phos_1) 		5 LEU A   9
GLY A  45
ILE A  82
LEU A  58
VAL A 183
 None
 1.00A 3adxB-4eo9A:
undetectable		 3adxB-4eo9A:
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.
4ew5 CIGR PROTEIN

(Salmonella
enterica) 		no annotation 5 GLY A 156
ALA A 152
LEU A 125
VAL A 117
ILE A 135
 None
 0.97A 3adxB-4ew5A:
undetectable		 3adxB-4ew5A:
17.07
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 LEU A 267
GLY A 165
ILE A 394
LEU A 261
ILE A 192
 None
 0.89A 3adxB-4fixA:
undetectable		 3adxB-4fixA:
18.04
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.
4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE

(Coffea
canephora) 		PF02458
(Transferase) 		5 LEU A 135
GLY A 144
ALA A  96
ILE A   3
VAL A  39
 None
 0.95A 3adxB-4g0bA:
undetectable		 3adxB-4g0bA:
21.84
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.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  87
ALA A  76
LEU A  49
LEU A  46
ILE A  42
 NAD  A 400 (-3.2A)
None
None
EDO  A 402 (-4.2A)
NAD  A 400 (-3.8A)
 0.97A 3adxB-4i1iA:
undetectable		 3adxB-4i1iA:
20.86
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 366
ALA A 419
LEU A 389
LEU A 435
VAL A 434
 None
 0.93A 3adxB-4iv9A:
undetectable		 3adxB-4iv9A:
19.82
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.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 ALA A  69
ILE A  87
LEU A 119
ILE A 114
MET A 158
 None
 0.89A 3adxB-4jerA:
undetectable		 3adxB-4jerA:
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.
4ke4 HYDROXYCINNAMOYL-COA
:SHIKIMATE
HYDROXYCINNAMOYL
TRANSFERASE

(Sorghum bicolor) 		PF02458
(Transferase) 		6 LEU A 144
GLY A 153
ALA A 105
ILE A   3
LEU A 127
VAL A  39
 None
 1.11A 3adxB-4ke4A:
undetectable		 3adxB-4ke4A:
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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY A 304
ALA A 251
ILE A 168
LEU A 164
LEU A 161
 None
 0.98A 3adxB-4lsmA:
undetectable		 3adxB-4lsmA:
21.85
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.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 LEU A 170
GLY A 147
ALA A 163
ILE A 190
LEU A 187
 None
 0.83A 3adxB-4msoA:
undetectable		 3adxB-4msoA:
22.09
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		5 CYH A 223
SER A 382
ALA A 349
ILE A 389
LEU A 397
 None
 0.93A 3adxB-4px9A:
undetectable		 3adxB-4px9A:
23.05
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.
4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE

(Mycolicibacterium
smegmatis) 		PF04127
(DFP) 		5 GLY A 313
ARG A 260
LEU A 259
VAL A 279
MET A 275
 None
None
None
CTP  A 500 (-4.1A)
CTP  A 500 (-4.4A)
 0.88A 3adxB-4qjiA:
undetectable		 3adxB-4qjiA:
21.96
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.
4roe TRANSCRIPTION FACTOR
IIIB 50 KDA SUBUNIT

(Homo sapiens) 		no annotation 5 GLY A 119
CYH A 120
ALA A 100
LEU A 162
VAL A 164
 None
 0.92A 3adxB-4roeA:
undetectable		 3adxB-4roeA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 378
ALA A 369
ILE A 386
LEU A 393
VAL A 394
 None
 0.92A 3adxB-4s38A:
undetectable		 3adxB-4s38A:
21.53
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		6 LEU A  41
GLY A 163
ALA A  20
LEU A  95
VAL A 123
ILE A 124
 None
None
FMN  A 401 (-3.7A)
None
None
None
 1.34A 3adxB-4wzhA:
undetectable		 3adxB-4wzhA:
22.45
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.
4xpm PROTEIN MEH1
UNCHARACTERIZED
PROTEIN YCR075W-A

(Saccharomyces
cerevisiae) 		PF11503
(DUF3215)
no annotation 		5 GLY B  26
ALA B  14
ILE A 164
LEU A 160
LEU A 157
 None
 0.77A 3adxB-4xpmB:
undetectable		 3adxB-4xpmB:
12.50