SIMILAR PATTERNS OF AMINO ACIDS FOR 4XE5_A_OBNA1104_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.
1b07 PROTEIN
(PROTO-ONCOGENE CRK
(CRK))

(Mus musculus) 		PF00018
(SH3_1) 		5 GLU A 176
ASP A 174
GLY A 156
ALA A 139
ILE A 182
 None
 1.29A 4xe5A-1b07A:
undetectable		 4xe5A-1b07A:
5.35
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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		5 ASP A 379
LEU A 383
GLU A 353
GLU A 388
ASP A 513
 None
 1.00A 4xe5A-1biyA:
0.4		 4xe5A-1biyA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddb PROTEIN (BID)

(Mus musculus) 		PF06393
(BID) 		6 GLU A  41
ASP A  18
GLU A  36
GLY A  23
ALA A  87
ILE A 178
 None
 1.49A 4xe5A-1ddbA:
undetectable		 4xe5A-1ddbA:
11.47
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ASP A 148
GLY A 539
ALA A 176
ILE A 174
ASP A 128
 None
 1.18A 4xe5A-1e1cA:
2.5		 4xe5A-1e1cA:
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.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 GLU A 267
LEU A 395
GLU A 445
GLU A 394
ILE A 427
 None
 1.27A 4xe5A-1ek2A:
undetectable		 4xe5A-1ek2A:
20.02
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.
1eq9 CHYMOTRYPSIN

(Solenopsis
invicta) 		PF00089
(Trypsin) 		5 GLU A 159
LEU A 184
GLU A 157
GLY A 189
ALA A 221
 None
 1.19A 4xe5A-1eq9A:
undetectable		 4xe5A-1eq9A:
12.18
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.
1gxk CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF06470
(SMC_hinge) 		5 LEU A 613
GLU A 645
GLY A 539
ALA A 542
ILE A 524
 None
 0.96A 4xe5A-1gxkA:
undetectable		 4xe5A-1gxkA:
13.56
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A 764
ALA A 748
PHE A 674
ILE A 767
ASP A 793
 None
 1.24A 4xe5A-1i8qA:
0.7		 4xe5A-1i8qA:
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 226
GLY A 382
ALA A 463
GLU A 459
ILE A 471
 None
 1.25A 4xe5A-1lpfA:
3.4		 4xe5A-1lpfA:
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.
1pw5 NAGD PROTEIN,
PUTATIVE

(Thermotoga
maritima) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ASP A 213
LEU A 210
GLY A 230
GLU A 235
PHE A 246
 SO4  A 302 ( 4.7A)
None
None
NDG  A 254 (-3.1A)
None
 1.28A 4xe5A-1pw5A:
6.8		 4xe5A-1pw5A:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 160
GLY A 129
ALA A 132
PHE A 412
ILE A 432
 ZN  A 501 (-2.0A)
None
None
None
None
 1.29A 4xe5A-1r3nA:
undetectable		 4xe5A-1r3nA:
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 LEU A 111
GLU A 124
GLY A  70
ALA A  74
PHE A 162
 None
 1.30A 4xe5A-1tf1A:
undetectable		 4xe5A-1tf1A:
12.21
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 GLU A  70
LEU A  31
GLU A  64
GLY A  16
ALA A 255
 None
 1.12A 4xe5A-1woqA:
undetectable		 4xe5A-1woqA:
15.17
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.
1wzc MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 GLU A 141
GLY A  65
ALA A 183
PHE A  60
ILE A  90
 None
 1.19A 4xe5A-1wzcA:
5.4		 4xe5A-1wzcA:
13.03
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.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		5 GLU A 162
ASP A 161
LEU A 159
GLY A  95
GLU A 168
 None
 1.15A 4xe5A-1x9yA:
undetectable		 4xe5A-1x9yA:
17.29
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 462
GLU A 413
GLY A 447
ALA A 451
ASP A 388
 None
 1.27A 4xe5A-1zk7A:
undetectable		 4xe5A-1zk7A:
20.08
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.
2a2o HYPOTHETICAL PROTEIN
BT3146

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A  61
ALA A  63
PHE A 233
ILE A 189
ASP A  79
 None
None
EDO  A 249 ( 4.3A)
None
EDO  A 248 ( 4.1A)
 1.28A 4xe5A-2a2oA:
undetectable		 4xe5A-2a2oA:
13.13
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.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 LEU A 293
GLU A 341
ALA A 352
PHE A 367
ILE A 356
 None
 1.28A 4xe5A-2dieA:
undetectable		 4xe5A-2dieA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		5 LEU A 151
GLY A 102
ALA A  74
ILE A  70
ASP A 119
 None
 1.21A 4xe5A-2ef4A:
undetectable		 4xe5A-2ef4A:
15.45
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.
2f59 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE
1

(Brucella
abortus) 		PF00885
(DMRL_synthase) 		5 GLU A 123
LEU A  30
ALA A  20
PHE A  91
ILE A 117
 None
None
INI  A 201 ( 3.7A)
INI  A 201 (-4.0A)
None
 1.29A 4xe5A-2f59A:
undetectable		 4xe5A-2f59A:
10.07
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.
2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE

(Vibrio cholerae) 		PF13302
(Acetyltransf_3) 		5 GLN A  13
LEU A  16
GLU A  74
GLY A  71
ILE A  55
 None
 1.28A 4xe5A-2fckA:
undetectable		 4xe5A-2fckA:
10.64
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.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 GLU A 179
ASP A 176
GLU A  28
ALA A  59
PHE A  22
 None
 1.18A 4xe5A-2fvgA:
undetectable		 4xe5A-2fvgA:
16.78
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		5 GLU A 246
LEU A 317
GLU A 249
GLY A 256
ALA A 259
 None
 1.23A 4xe5A-2hvqA:
2.2		 4xe5A-2hvqA:
16.34
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.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLU A 167
GLU A 168
GLU A 198
ILE A 145
ASP A 135
 None
 1.27A 4xe5A-2i5gA:
undetectable		 4xe5A-2i5gA:
16.68
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		5 GLU A 344
ASP A 103
GLU A 372
GLY A  68
ILE A 111
 None
 1.29A 4xe5A-2i7xA:
2.6		 4xe5A-2i7xA:
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLN A 430
LEU A 422
GLU A 431
ALA A 373
PHE A 438
 None
 1.24A 4xe5A-2iwzA:
undetectable		 4xe5A-2iwzA:
18.67
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.
2lv7 CALCIUM-BINDING
PROTEIN 7

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 GLU A  92
GLU A  93
LEU A  98
ALA A  41
ASP A  86
 None
CA  A 202 (-2.4A)
None
None
CA  A 202 (-3.2A)
 1.29A 4xe5A-2lv7A:
undetectable		 4xe5A-2lv7A:
6.82
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.
2owi REGULATOR OF
G-PROTEIN SIGNALING
18

(Homo sapiens) 		PF00615
(RGS) 		5 GLU A  13
LEU A 129
GLY A  24
ALA A  27
ILE A 125
 None
 1.26A 4xe5A-2owiA:
2.5		 4xe5A-2owiA:
9.43
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.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ASP A  12
GLY A 183
GLU A 211
ILE A 171
ASP A  19
 None
MPD  A 251 (-4.5A)
None
None
None
 1.21A 4xe5A-2pnzA:
undetectable		 4xe5A-2pnzA:
13.11
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 222
ASP A 196
ALA A 183
PHE A 192
ILE A 142
 MG  A 401 (-3.2A)
MG  A 401 (-2.6A)
None
None
None
 1.17A 4xe5A-2ps2A:
undetectable		 4xe5A-2ps2A:
16.34
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLU 1  28
ASP 1 183
LEU 1 186
GLY 1  14
ALA 1  99
 None
GDP  1 339 (-3.2A)
None
None
None
 1.23A 4xe5A-2r6r1:
undetectable		 4xe5A-2r6r1:
17.43
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 LEU A  19
GLU A 251
GLY A  12
ALA A  69
ILE A 214
 None
 1.29A 4xe5A-2w4iA:
undetectable		 4xe5A-2w4iA:
13.63
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 GLU A 279
LEU A 275
ALA A 270
PHE A 363
ILE A 268
 None
 1.25A 4xe5A-2x7jA:
3.1		 4xe5A-2x7jA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		5 GLU A 285
GLU A 277
GLY A 294
ALA A 297
ILE A 243
 None
 1.29A 4xe5A-3a9xA:
undetectable		 4xe5A-3a9xA:
19.96
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLU A 405
ASP A 402
LEU A  81
GLU A  47
GLY A  87
 None
 1.27A 4xe5A-3b40A:
undetectable		 4xe5A-3b40A:
18.06
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLN A 814
ASP A 761
LEU A 767
GLU A 831
ALA A 826
 None
 1.27A 4xe5A-3bgaA:
undetectable		 4xe5A-3bgaA:
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 GLN A 432
GLU A 431
LEU A 295
GLY A 254
ALA A 258
 GOL  A 463 ( 3.8A)
None
None
SO4  A 460 (-3.5A)
None
 1.23A 4xe5A-3bq9A:
undetectable		 4xe5A-3bq9A:
18.48
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.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 451
GLY A 142
ALA A 146
ILE A 464
ASP A 448
 None
 1.17A 4xe5A-3dljA:
undetectable		 4xe5A-3dljA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dx5 UNCHARACTERIZED
PROTEIN ASBF

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 GLN A  22
GLU A  26
LEU A  57
PHE A  10
ILE A  64
 None
None
GOL  A 291 ( 4.3A)
None
None
 1.21A 4xe5A-3dx5A:
undetectable		 4xe5A-3dx5A:
13.59
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.
3ejw SMLSRB

(Sinorhizobium
meliloti) 		PF13407
(Peripla_BP_4) 		5 ASP A  90
GLU A 301
GLY A 247
ALA A  23
PHE A 315
 PAV  A 400 (-2.8A)
None
None
None
None
 1.21A 4xe5A-3ejwA:
3.2		 4xe5A-3ejwA:
15.58
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A 241
GLU A 198
GLY A 276
ALA A 272
ILE A 186
 None
 1.23A 4xe5A-3gb0A:
undetectable		 4xe5A-3gb0A:
17.34
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.
3jr7 UNCHARACTERIZED EGV
FAMILY PROTEIN
COG1307

([Ruminococcus]
gnavus) 		PF02645
(DegV) 		5 GLU A 258
GLU A 257
GLU A 262
GLY A 293
ALA A 289
 None
None
None
None
PG6  A 299 ( 4.6A)
 1.26A 4xe5A-3jr7A:
undetectable		 4xe5A-3jr7A:
15.86
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 GLU A 585
ASP A 587
GLU A 604
GLY A 549
ALA A 523
 None
 1.11A 4xe5A-3k1jA:
3.3		 4xe5A-3k1jA:
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLU A 283
GLU A  47
GLY A 289
ALA A 292
GLU A 266
 LLP  A  56 ( 3.6A)
None
None
None
None
 1.28A 4xe5A-3l6rA:
3.0		 4xe5A-3l6rA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLN A  95
GLU A  99
GLY A 265
ALA A 267
ILE A 339
 CO8  A 400 ( 4.7A)
None
None
None
None
 1.17A 4xe5A-3mdeA:
2.6		 4xe5A-3mdeA:
17.23
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 LEU A  10
GLY A 130
ALA A 144
ILE A 147
ASP A  49
 None
 1.29A 4xe5A-3mn1A:
17.6		 4xe5A-3mn1A:
10.61
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A  39
LEU A  33
GLY A  14
ALA A  18
ILE A  48
 None
 1.25A 4xe5A-3mogA:
3.2		 4xe5A-3mogA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		9 ASP A 121
LEU A 125
GLU A 312
GLY A 319
ALA A 323
GLU A 327
PHE A 786
ILE A 800
ASP A 884
 OBN  A   1 (-3.4A)
None
None
OBN  A   1 ( 4.8A)
OBN  A   1 (-3.2A)
None
None
OBN  A   1 ( 4.7A)
OBN  A   1 ( 4.8A)
 0.82A 4xe5A-3n23A:
47.7		 4xe5A-3n23A:
95.10
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT
PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans;
Ruegeria
pomeroyi) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A 643
GLU B  76
GLU A 645
ALA A 530
ILE A 572
 None
 1.23A 4xe5A-3n6rA:
2.5		 4xe5A-3n6rA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ASP A  45
LEU A  47
GLY A 194
ALA A 192
ASP A 150
 GOL  A 493 (-4.9A)
None
None
None
None
 1.18A 4xe5A-3n71A:
undetectable		 4xe5A-3n71A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 LEU A 228
GLU A 174
GLY A 238
ALA A 240
PHE A 167
 None
 1.24A 4xe5A-3pk0A:
5.1		 4xe5A-3pk0A:
14.03
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.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 LEU A 228
GLU A 174
GLY A 238
PHE A 167
ILE A 185
 None
 1.29A 4xe5A-3pk0A:
5.1		 4xe5A-3pk0A:
14.03
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.
3pnr FALCIPAIN 2

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		5 GLU A 241
LEU A 129
GLY A 144
ALA A 139
ILE A   8
 None
 1.18A 4xe5A-3pnrA:
undetectable		 4xe5A-3pnrA:
13.04
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 GLU A 227
GLU A 119
LEU A 424
GLU A 276
ASP A 151
 LNV  A 901 (-3.4A)
LNV  A 901 (-3.6A)
None
LNV  A 901 (-2.9A)
LNV  A 901 (-3.4A)
 1.03A 4xe5A-3ti8A:
undetectable		 4xe5A-3ti8A:
16.60
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.
3txx PUTRESCINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLN A  50
GLU A 105
ASP A 127
GLY A 124
GLU A 134
 None
 1.16A 4xe5A-3txxA:
undetectable		 4xe5A-3txxA:
17.48
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		5 GLU A 146
GLY A  47
ALA A  45
GLU A  92
PHE A 230
 None
 1.08A 4xe5A-3wl4A:
undetectable		 4xe5A-3wl4A:
13.70
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 GLU A 192
GLY A 302
ALA A 298
ILE A 328
ASP A 233
 None
 1.23A 4xe5A-3zh4A:
undetectable		 4xe5A-3zh4A:
18.16
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.
3zid TUBULIN/FTSZ, GTPASE

(Methanothrix
thermoacetophila) 		PF00091
(Tubulin) 		5 GLU A 292
GLU A 288
GLU A 294
GLY A 306
ILE A 309
 None
 1.27A 4xe5A-3zidA:
2.8		 4xe5A-3zidA:
17.70
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 GLU A 250
ASP A 294
LEU A 330
ALA A 310
ASP A 206
 None
None
None
None
CTT  A 503 (-3.1A)
 1.08A 4xe5A-4a05A:
undetectable		 4xe5A-4a05A:
16.67
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.
4au0 EXOGLUCANASE 2

(Trichoderma
reesei) 		PF01341
(Glyco_hydro_6) 		5 GLU A 219
ASP A 263
LEU A 299
ALA A 279
ASP A 175
 None
None
None
None
BGC  A 602 (-3.1A)
 1.04A 4xe5A-4au0A:
undetectable		 4xe5A-4au0A:
16.57
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.
4b8n CYTOCHROME B5-HOST
ORIGIN

(Ostreococcus
tauri virus 2) 		PF00173
(Cyt-b5) 		5 GLU A  27
GLU A  28
GLY A  60
ALA A  22
GLU A  20
 None
 1.18A 4xe5A-4b8nA:
undetectable		 4xe5A-4b8nA:
6.59
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 ASP A  89
GLY A  95
ALA A  50
GLU A 114
PHE A 498
 None
 1.20A 4xe5A-4ccdA:
undetectable		 4xe5A-4ccdA:
20.04
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.
4fim LACTOTRANSFERRIN

(Bos taurus) 		PF00405
(Transferrin) 		5 ASP A 379
LEU A 383
GLU A 353
GLU A 388
ASP A 513
 None
 1.15A 4xe5A-4fimA:
undetectable		 4xe5A-4fimA:
15.18
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 GLU A  30
LEU A 105
GLY A  59
ALA A  63
ILE A  17
 None
 0.94A 4xe5A-4h2lA:
2.0		 4xe5A-4h2lA:
8.65
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 GLU A 533
LEU A 137
GLU A 497
GLY A 539
ALA A 542
 None
 1.25A 4xe5A-4hhrA:
2.7		 4xe5A-4hhrA:
20.16
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.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 GLU A 234
LEU A 228
GLY A 214
ALA A 216
ILE A 105
 None
 1.25A 4xe5A-4htgA:
undetectable		 4xe5A-4htgA:
15.95
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.
4jcr ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		5 GLU A 103
GLU A 101
LEU A  98
GLY A 152
ALA A 148
 None
 1.13A 4xe5A-4jcrA:
undetectable		 4xe5A-4jcrA:
11.11
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.
4jw1 EFFECTOR PROTEIN B

(Legionella
pneumophila) 		no annotation 5 GLN A  81
ASP A 256
LEU A 257
GLU A  83
GLY A  88
 None
 1.26A 4xe5A-4jw1A:
2.9		 4xe5A-4jw1A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG

(Salmonella
enterica) 		PF03372
(Exo_endo_phos) 		5 ASP F 195
GLY F 235
ALA F 220
ILE F 231
ASP F 168
 None
 1.18A 4xe5A-4k6lF:
undetectable		 4xe5A-4k6lF:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 GLU A 191
GLY A 302
ALA A 298
ILE A 328
ASP A 232
 None
None
None
UD1  A 503 (-4.7A)
None
 1.19A 4xe5A-4r7uA:
undetectable		 4xe5A-4r7uA:
19.16
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLU A  32
ASP A 187
LEU A 190
GLY A  18
ALA A 103
 None
 1.22A 4xe5A-4u39A:
3.2		 4xe5A-4u39A:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLU A 284
GLU A 290
ASP A 585
GLY A 444
ILE A 593
 None
 1.27A 4xe5A-4umvA:
24.9		 4xe5A-4umvA:
24.09
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 GLU B 802
ASP B 818
LEU B 805
GLU B 860
ILE B 816
 None
 1.10A 4xe5A-4zktB:
undetectable		 4xe5A-4zktB:
21.70
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 GLU A  20
LEU A  25
GLY A  72
ALA A  74
ILE A 173
 None
 1.22A 4xe5A-5af3A:
undetectable		 4xe5A-5af3A:
13.26
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.
5cx7 ATP:COB(I)ALAMIN
ADENOSYLTRANSFERASE

(Salmonella
enterica) 		PF03928
(Haem_degrading) 		5 LEU A 110
GLU A 128
GLY A 107
ALA A  67
ILE A  39
 None
 1.16A 4xe5A-5cx7A:
undetectable		 4xe5A-5cx7A:
9.23
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLU A 339
ASP A 274
GLY A 296
ALA A 292
ILE A 203
 None
 1.24A 4xe5A-5d01A:
4.4		 4xe5A-5d01A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 GLU A1265
ASP A1128
GLY A1231
GLU A1199
ASP A1343
 None
 1.27A 4xe5A-5d0fA:
undetectable		 4xe5A-5d0fA:
20.22
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 GLU A 194
GLU A 195
LEU A 200
GLY A 215
ILE A 159
 None
 1.23A 4xe5A-5dlyA:
2.1		 4xe5A-5dlyA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLU A  79
GLU A  81
LEU A 597
GLY A 169
ALA A 335
 NI  A 904 (-2.8A)
NI  A 904 (-3.6A)
None
None
None
 1.14A 4xe5A-5dmyA:
undetectable		 4xe5A-5dmyA:
22.05
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.
5eul AYC08
PROTEIN TRANSLOCASE
SUBUNIT SECY

(Geobacillus
thermodenitrificans;
Vicugna pacos) 		PF00344
(SecY)
PF07686
(V-set) 		5 GLU V  46
LEU Y 140
GLY V  35
PHE V  67
ASP V  89
 None
 1.05A 4xe5A-5eulV:
undetectable		 4xe5A-5eulV:
7.85
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.
5fl3 PILI RETRACTION
PROTEIN PILT

(Thermus
thermophilus) 		PF00437
(T2SSE) 		5 GLU A 187
ASP A 191
GLU A 214
GLY A 198
ALA A 202
 None
 1.29A 4xe5A-5fl3A:
2.1		 4xe5A-5fl3A:
17.77
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.
5gkv ESTERASE A

(Caulobacter
vibrioides) 		PF00144
(Beta-lactamase) 		5 GLU A 324
ASP A 339
GLU A 291
GLY A 327
ILE A 367
 None
 1.19A 4xe5A-5gkvA:
undetectable		 4xe5A-5gkvA:
18.70
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLU A 144
LEU A 177
GLY A 165
ALA A 163
ILE A  84
 None
 1.25A 4xe5A-5gm2A:
undetectable		 4xe5A-5gm2A:
14.97
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.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 LEU A 202
GLU A 100
GLY A 136
ALA A 139
ILE A 131
 None
PO4  A 305 ( 4.4A)
PO4  A 301 (-3.3A)
None
None
 1.21A 4xe5A-5guiA:
undetectable		 4xe5A-5guiA:
11.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5he9 HELICASE LOADER

(Staphylococcus
aureus) 		PF01695
(IstB_IS21) 		5 GLU A 287
LEU A 270
GLY A 242
GLU A 230
ILE A 227
 None
 1.09A 4xe5A-5he9A:
undetectable		 4xe5A-5he9A:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kn8 ADENINE DNA
GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		5 GLU A 181
LEU A 134
ALA A 142
GLU A  43
ILE A 191
 None
 1.15A 4xe5A-5kn8A:
undetectable		 4xe5A-5kn8A:
13.43
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 GLN A 159
LEU A 146
GLY A 259
ALA A 248
ILE A 243
 ACT  A 401 ( 4.8A)
None
ACT  A 401 ( 3.9A)
None
None
 1.29A 4xe5A-5l9sA:
undetectable		 4xe5A-5l9sA:
15.57
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		5 GLU A 177
GLU A 170
GLY A 209
ALA A 207
ILE A 203
 None
 1.25A 4xe5A-5mfbA:
undetectable		 4xe5A-5mfbA:
14.52
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 LEU B 333
GLU B 406
ALA B 325
ILE B 323
ASP B 399
 None
 1.22A 4xe5A-5mrwB:
8.7		 4xe5A-5mrwB:
24.93
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 LEU A   8
GLU A 138
GLY A  36
PHE A 129
ILE A 102
 None
 1.14A 4xe5A-5o25A:
2.9		 4xe5A-5o25A:
15.09
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.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		5 GLU B  46
GLY B  35
GLU A 213
PHE B  67
ASP B  86
 None
 1.07A 4xe5A-5o2uB:
undetectable		 4xe5A-5o2uB:
9.29
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 GLU A 583
GLU A 559
ALA A 541
PHE A 507
ILE A 512
 None
 1.26A 4xe5A-5o3wA:
2.9		 4xe5A-5o3wA:
5.85
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 7

(Homo sapiens) 		PF00004
(AAA) 		5 ASP A 325
LEU A 327
GLU A 276
GLY A 281
ALA A 283
 None
 1.24A 4xe5A-5vhjA:
2.8		 4xe5A-5vhjA:
13.22
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 ASP A 139
LEU A 137
GLU A 259
GLY A 120
ALA A 123
 FAD  A 601 (-3.0A)
None
None
FAD  A 601 (-3.7A)
None
 1.15A 4xe5A-5w1jA:
1.5		 4xe5A-5w1jA:
20.60
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		5 GLU A 214
ASP A 258
LEU A 294
ALA A 274
ASP A 170
 None
 1.04A 4xe5A-5xcyA:
undetectable		 4xe5A-5xcyA:
16.55
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		5 ASP w  63
GLY w  71
ALA w  74
ILE w  60
ASP w 166
 None
 1.07A 4xe5A-5xtdw:
undetectable		 4xe5A-5xtdw:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 GLU A 281
ASP A 284
GLU A 154
GLY A 158
ILE A  70
 None
 1.23A 4xe5A-6dchA:
undetectable		 4xe5A-6dchA:
6.80
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 GLU A 281
ASP A 284
LEU A 286
GLU A 154
GLY A 158
 None
 1.03A 4xe5A-6dchA:
undetectable		 4xe5A-6dchA:
6.80
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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 GLN A 344
GLU A 340
GLY A  42
GLU A  36
ILE A 129
 C3H  A 514 (-2.8A)
None
None
None
None
 1.27A 4xe5A-6exsA:
undetectable		 4xe5A-6exsA:
5.42
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.
6fhs RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 5 ASP A 393
GLU A 371
GLY A 399
GLU A 435
ILE A 431
 None
 1.26A 4xe5A-6fhsA:
undetectable		 4xe5A-6fhsA:
6.13