SIMILAR PATTERNS OF AMINO ACIDS FOR 3BPX_B_SALB258_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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 ALA A 475
LEU A 478
ILE A 331
PRO A 332
GLY A 237
 None
 1.22A 3bpxA-1crlA:
0.0
3bpxB-1crlA:
0.0		 3bpxA-1crlA:
13.20
3bpxB-1crlA:
13.20
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.
1fq9 FIBROBLAST GROWTH
FACTOR RECEPTOR 1

(Homo sapiens) 		PF07679
(I-set) 		5 ALA C 343
LEU C 349
ARG C 254
ILE C 347
SER C 281
 None
 1.18A 3bpxA-1fq9C:
0.0
3bpxB-1fq9C:
undetectable		 3bpxA-1fq9C:
20.69
3bpxB-1fq9C:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i31 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 ALA A 317
LEU A 316
PHE A 394
GLY A 360
SER A 309
 None
 1.14A 3bpxA-1i31A:
undetectable
3bpxB-1i31A:
undetectable		 3bpxA-1i31A:
19.55
3bpxB-1i31A:
19.55
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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ALA A 155
ARG A 128
ILE A 445
GLY A 463
SER A 189
 None
3GC  A 501 (-2.8A)
None
None
None
 1.44A 3bpxA-1m0wA:
0.0
3bpxB-1m0wA:
0.1		 3bpxA-1m0wA:
15.26
3bpxB-1m0wA:
15.26
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		5 LEU A 353
ILE A 637
PRO A 601
LYS A 600
ARG A 465
 None
 1.33A 3bpxA-1m9iA:
0.0
3bpxB-1m9iA:
0.0		 3bpxA-1m9iA:
13.29
3bpxB-1m9iA:
13.29
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.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A   4
ILE A  60
PRO A  61
GLY A  97
SER A  37
 None
 1.42A 3bpxA-1o8cA:
undetectable
3bpxB-1o8cA:
0.0		 3bpxA-1o8cA:
17.35
3bpxB-1o8cA:
17.35
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.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		5 ALA A 158
LEU A 157
ILE A 123
PRO A 124
GLY A 169
 None
 1.46A 3bpxA-1oduA:
0.0
3bpxB-1oduA:
0.0		 3bpxA-1oduA:
15.57
3bpxB-1oduA:
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.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 ALA A  25
LEU A  23
ARG A  24
PHE A 221
GLY A  20
 None
None
None
None
PO4  A 309 (-3.0A)
 1.42A 3bpxA-1pk9A:
0.0
3bpxB-1pk9A:
0.0		 3bpxA-1pk9A:
19.91
3bpxB-1pk9A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 ALA A 224
PHE A 267
ILE A 241
GLY A 214
SER A 215
 None
 1.38A 3bpxA-1pz3A:
undetectable
3bpxB-1pz3A:
undetectable		 3bpxA-1pz3A:
14.74
3bpxB-1pz3A:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 292
ARG B 195
ILE B 367
PRO B 366
GLY B 368
 None
 1.38A 3bpxA-1t3qB:
undetectable
3bpxB-1t3qB:
undetectable		 3bpxA-1t3qB:
12.33
3bpxB-1t3qB:
12.33
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ALA A  29
LEU A  25
ILE A  87
GLY A  88
SER A  92
 None
 1.44A 3bpxA-1ud3A:
undetectable
3bpxB-1ud3A:
undetectable		 3bpxA-1ud3A:
15.81
3bpxB-1ud3A:
15.81
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.
1xhc NADH OXIDASE
/NITRITE REDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2) 		5 ALA A 272
ARG A 120
PHE A 145
ILE A 224
GLY A 270
 FAD  A 360 (-3.8A)
FAD  A 360 (-3.9A)
FAD  A 360 (-4.4A)
None
FAD  A 360 (-4.3A)
 1.43A 3bpxA-1xhcA:
undetectable
3bpxB-1xhcA:
undetectable		 3bpxA-1xhcA:
19.62
3bpxB-1xhcA:
19.62
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE

(Methanosarcina
barkeri) 		PF00296
(Bac_luciferase) 		5 ALA A 316
LEU A 319
PHE A  28
ILE A 324
PRO A 285
 None
 1.16A 3bpxA-1z69A:
undetectable
3bpxB-1z69A:
undetectable		 3bpxA-1z69A:
19.00
3bpxB-1z69A:
19.00
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.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		5 ALA A 265
LEU A 261
ILE A 272
PRO A 273
SER A  18
 None
None
NAD  A1350 (-4.2A)
NAD  A1350 (-4.8A)
None
 1.49A 3bpxA-1z9aA:
1.2
3bpxB-1z9aA:
undetectable		 3bpxA-1z9aA:
18.79
3bpxB-1z9aA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahr PUTATIVE PYRROLINE
CARBOXYLATE
REDUCTASE

(Streptococcus
pyogenes) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 ALA A 253
LEU A 256
ARG A  94
ILE A  90
PRO A  67
 None
None
NA  A1257 (-4.5A)
None
NAP  A1500 (-4.1A)
 1.37A 3bpxA-2ahrA:
undetectable
3bpxB-2ahrA:
undetectable		 3bpxA-2ahrA:
18.92
3bpxB-2ahrA:
18.92
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.
2bp5 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 ALA M 317
LEU M 316
PHE M 394
GLY M 360
SER M 309
 None
 1.19A 3bpxA-2bp5M:
undetectable
3bpxB-2bp5M:
undetectable		 3bpxA-2bp5M:
15.40
3bpxB-2bp5M:
15.40
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.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 ALA A 279
LEU A 282
ILE A 360
PRO A 361
SER A 367
 None
 1.17A 3bpxA-2cw7A:
3.5
3bpxB-2cw7A:
undetectable		 3bpxA-2cw7A:
16.32
3bpxB-2cw7A:
16.32
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.
2es3 THROMBOSPONDIN-1

(Homo sapiens) 		PF02210
(Laminin_G_2) 		5 LEU A  30
ARG A  29
LYS A  24
GLY A  25
SER A  26
 None
 1.39A 3bpxA-2es3A:
undetectable
3bpxB-2es3A:
undetectable		 3bpxA-2es3A:
21.00
3bpxB-2es3A:
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 ALA A 240
LEU A 241
PRO A 261
GLY A 206
SER A 208
 None
 1.43A 3bpxA-2g1sA:
undetectable
3bpxB-2g1sA:
undetectable		 3bpxA-2g1sA:
17.58
3bpxB-2g1sA:
17.58
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 ALA A 395
LEU A 394
ARG A 370
PHE A 391
GLY A 414
 None
 1.16A 3bpxA-2i3oA:
undetectable
3bpxB-2i3oA:
undetectable		 3bpxA-2i3oA:
13.89
3bpxB-2i3oA:
13.89
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		5 ALA A 143
ARG A 142
PHE A  73
ILE A  35
PRO A  34
 None
 1.28A 3bpxA-2iw0A:
undetectable
3bpxB-2iw0A:
undetectable		 3bpxA-2iw0A:
19.60
3bpxB-2iw0A:
19.60
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.
2ofk 3-METHYLADENINE DNA
GLYCOSYLASE I,
CONSTITUTIVE

(Salmonella
enterica) 		PF03352
(Adenine_glyco) 		5 ALA A 101
LEU A 103
ARG A 100
ILE A  68
PRO A  65
 None
None
PGE  A 903 (-2.9A)
None
None
 1.00A 3bpxA-2ofkA:
undetectable
3bpxB-2ofkA:
undetectable		 3bpxA-2ofkA:
21.28
3bpxB-2ofkA:
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 449
ARG B 431
ILE B 434
GLY B 447
ARG B 362
 None
 1.05A 3bpxA-2w55B:
undetectable
3bpxB-2w55B:
undetectable		 3bpxA-2w55B:
10.17
3bpxB-2w55B:
10.17
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ALA A 152
ARG A 119
ILE A 499
GLY A 526
SER A 201
 None
GSH  A1556 (-3.1A)
None
None
None
 1.33A 3bpxA-2wyoA:
undetectable
3bpxB-2wyoA:
undetectable		 3bpxA-2wyoA:
13.80
3bpxB-2wyoA:
13.80
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		5 ALA A 239
PHE A 317
ILE A  56
PRO A  54
GLY A  52
 None
SO4  A 501 ( 4.7A)
None
None
SO4  A 501 (-4.2A)
 1.41A 3bpxA-2yrfA:
undetectable
3bpxB-2yrfA:
undetectable		 3bpxA-2yrfA:
17.13
3bpxB-2yrfA:
17.13
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.
3ab1 FERREDOXIN--NADP
REDUCTASE

(Chlorobaculum
tepidum) 		PF07992
(Pyr_redox_2) 		5 ALA A  73
LEU A  76
ILE A  27
PRO A  24
GLY A  50
 None
None
None
FAD  A 361 (-3.8A)
None
 1.28A 3bpxA-3ab1A:
undetectable
3bpxB-3ab1A:
undetectable		 3bpxA-3ab1A:
18.07
3bpxB-3ab1A:
18.07
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 ALA B 334
PHE B 388
ILE B 242
GLY B 351
ARG B 387
 None
 1.07A 3bpxA-3adaB:
undetectable
3bpxB-3adaB:
undetectable		 3bpxA-3adaB:
16.76
3bpxB-3adaB:
16.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bpv TRANSCRIPTIONAL
REGULATOR

(Methanothermobacter
thermautotrophicus) 		PF01047
(MarR) 		6 ILE A   5
PRO A   6
LYS A   8
GLY A   9
SER A  12
ARG A  16
 None
 0.45A 3bpxA-3bpvA:
21.7
3bpxB-3bpvA:
21.5		 3bpxA-3bpvA:
100.00
3bpxB-3bpvA:
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA A 218
LEU A 221
ILE A  74
PRO A  75
GLY A  76
 None
 1.23A 3bpxA-3hrdA:
undetectable
3bpxB-3hrdA:
undetectable		 3bpxA-3hrdA:
15.76
3bpxB-3hrdA:
15.76
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA A 218
LEU A 221
PHE A  80
PRO A  75
GLY A  76
 None
 1.32A 3bpxA-3hrdA:
undetectable
3bpxB-3hrdA:
undetectable		 3bpxA-3hrdA:
15.76
3bpxB-3hrdA:
15.76
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.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 ALA A  80
LEU A  81
ARG A  82
PHE A 254
ILE A 245
 None
 1.14A 3bpxA-3jclA:
undetectable
3bpxB-3jclA:
2.6		 3bpxA-3jclA:
7.92
3bpxB-3jclA:
7.92
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A   4
ILE A  60
PRO A  61
GLY A  97
SER A  37
 None
 1.40A 3bpxA-3nx4A:
undetectable
3bpxB-3nx4A:
undetectable		 3bpxA-3nx4A:
16.82
3bpxB-3nx4A:
16.82
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.
3oev PROTEASOME COMPONENT
Y13

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA B 189
LEU B 192
PHE B 212
ILE B  38
GLY B  39
 None
 1.28A 3bpxA-3oevB:
undetectable
3bpxB-3oevB:
undetectable		 3bpxA-3oevB:
23.58
3bpxB-3oevB:
23.58
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.
3pfo PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Rhodopseudomonas
palustris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ARG A 193
ILE A 388
PRO A 389
SER A 104
ARG A 168
 None
None
EDO  A 502 ( 3.5A)
None
None
 1.27A 3bpxA-3pfoA:
undetectable
3bpxB-3pfoA:
undetectable		 3bpxA-3pfoA:
15.97
3bpxB-3pfoA:
15.97
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 ALA A 230
LEU A 216
PRO A 235
GLY A 214
SER A 210
 None
 1.00A 3bpxA-3vtaA:
undetectable
3bpxB-3vtaA:
undetectable		 3bpxA-3vtaA:
11.64
3bpxB-3vtaA:
11.64
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 ARG A 486
ILE A 436
PRO A 437
GLY A 553
SER A 520
 None
 1.46A 3bpxA-3wxoA:
1.4
3bpxB-3wxoA:
1.9		 3bpxA-3wxoA:
12.73
3bpxB-3wxoA:
12.73
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 ALA A 264
LEU A 267
PRO A 123
GLY A 124
SER A  13
 None
 0.99A 3bpxA-4a3sA:
undetectable
3bpxB-4a3sA:
undetectable		 3bpxA-4a3sA:
20.00
3bpxB-4a3sA:
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 ALA A 760
LEU A 764
PHE A 752
GLY A 677
SER A 681
 None
 1.42A 3bpxA-4ammA:
undetectable
3bpxB-4ammA:
undetectable		 3bpxA-4ammA:
18.48
3bpxB-4ammA:
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 LEU A1871
PHE A1736
ILE A1864
GLY A1865
SER A1754
 None
 1.47A 3bpxA-4asiA:
undetectable
3bpxB-4asiA:
undetectable		 3bpxA-4asiA:
12.15
3bpxB-4asiA:
12.15
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.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 122
LEU A 139
ILE A 164
GLY A 141
SER A 142
 None
 1.29A 3bpxA-4bf5A:
undetectable
3bpxB-4bf5A:
undetectable		 3bpxA-4bf5A:
16.96
3bpxB-4bf5A:
16.96
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.
4dn2 NITROREDUCTASE

(Geobacter
metallireducens) 		PF00881
(Nitroreductase) 		5 ALA A 149
LEU A 151
ARG A 152
ILE A 153
GLY A 142
 None
 1.03A 3bpxA-4dn2A:
undetectable
3bpxB-4dn2A:
undetectable		 3bpxA-4dn2A:
21.60
3bpxB-4dn2A:
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.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		5 ALA A 360
LEU A 361
PHE A 197
ILE A 386
GLY A 385
 None
 1.27A 3bpxA-4hyrA:
undetectable
3bpxB-4hyrA:
undetectable		 3bpxA-4hyrA:
15.59
3bpxB-4hyrA:
15.59
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.
4i2o FIXK2 PROTEIN

(Bradyrhizobium
japonicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 ALA A 179
LEU A 180
ARG A 217
ARG A 184
GLY A 215
 None
 1.50A 3bpxA-4i2oA:
4.7
3bpxB-4i2oA:
3.8		 3bpxA-4i2oA:
22.13
3bpxB-4i2oA:
22.13
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.
4ilr CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 2

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 LEU A  81
ARG A  80
ILE A  12
PRO A  13
GLY A  78
 None
 1.09A 3bpxA-4ilrA:
undetectable
3bpxB-4ilrA:
undetectable		 3bpxA-4ilrA:
19.31
3bpxB-4ilrA:
19.31
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.
4jgh CULLIN-5

(Homo sapiens) 		PF00888
(Cullin) 		5 LEU D 176
PHE D 202
ILE D 178
GLY D 179
SER D 183
 None
 1.24A 3bpxA-4jghD:
2.6
3bpxB-4jghD:
undetectable		 3bpxA-4jghD:
18.04
3bpxB-4jghD:
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.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		5 LEU A  28
ARG A 255
ILE A 254
PRO A 253
SER A 225
 None
 1.44A 3bpxA-4m8dA:
undetectable
3bpxB-4m8dA:
undetectable		 3bpxA-4m8dA:
19.62
3bpxB-4m8dA:
19.62
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.
4n9f CULLIN-5

(Homo sapiens) 		no annotation 5 LEU U 176
PHE U 202
ILE U 178
GLY U 179
SER U 183
 None
 1.21A 3bpxA-4n9fU:
undetectable
3bpxB-4n9fU:
undetectable		 3bpxA-4n9fU:
19.00
3bpxB-4n9fU:
19.00
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 ALA A 267
LEU A 286
ILE A 231
PRO A 232
GLY A 228
 None
 1.46A 3bpxA-4ng3A:
undetectable
3bpxB-4ng3A:
undetectable		 3bpxA-4ng3A:
17.25
3bpxB-4ng3A:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nw4 LIPOPROTEIN S-LAYER
PROTEIN

(Enterococcus
faecalis) 		PF16103
(DUF4822) 		5 ALA A  88
LEU A  87
ARG A 108
ILE A  85
GLY A  66
 SO4  A 402 ( 4.8A)
None
None
None
None
 1.40A 3bpxA-4nw4A:
undetectable
3bpxB-4nw4A:
undetectable		 3bpxA-4nw4A:
18.03
3bpxB-4nw4A:
18.03
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.
4nw4 LIPOPROTEIN S-LAYER
PROTEIN

(Enterococcus
faecalis) 		PF16103
(DUF4822) 		5 ALA A 229
LEU A 228
ARG A 249
ILE A 226
GLY A 207
 SO4  A 403 ( 4.2A)
None
SO4  A 405 (-3.7A)
None
None
 1.42A 3bpxA-4nw4A:
undetectable
3bpxB-4nw4A:
undetectable		 3bpxA-4nw4A:
18.03
3bpxB-4nw4A:
18.03
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		5 ALA A 383
ARG A 451
ILE A 380
PRO A 427
GLY A 381
 None
 1.30A 3bpxA-4onqA:
undetectable
3bpxB-4onqA:
undetectable		 3bpxA-4onqA:
17.65
3bpxB-4onqA:
17.65
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ALA A 282
LEU A 285
ARG A 284
GLY A 520
ARG A 356
 None
None
None
None
GOL  A2007 (-3.7A)
 1.29A 3bpxA-4q73A:
undetectable
3bpxB-4q73A:
undetectable		 3bpxA-4q73A:
9.29
3bpxB-4q73A:
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.
4r6y PUTATIVE
2-AMINOETHYLPHOSPHON
ATE-BINDING
PERIPLASMIC PROTEIN

(Salmonella
enterica) 		PF13343
(SBP_bac_6) 		5 ALA A 161
PHE A  88
ILE A 327
PRO A 157
GLY A 158
 ACT  A 402 (-4.1A)
None
None
None
None
 1.27A 3bpxA-4r6yA:
undetectable
3bpxB-4r6yA:
undetectable		 3bpxA-4r6yA:
18.36
3bpxB-4r6yA:
18.36
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.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 LEU A 406
ARG A 405
PRO A 317
GLY A 319
SER A 321
 None
 1.16A 3bpxA-4rmfA:
undetectable
3bpxB-4rmfA:
0.9		 3bpxA-4rmfA:
15.15
3bpxB-4rmfA:
15.15
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 185
LEU A 182
ILE A 171
GLY A 134
SER A 132
 None
 1.49A 3bpxA-5fkuA:
undetectable
3bpxB-5fkuA:
undetectable		 3bpxA-5fkuA:
8.49
3bpxB-5fkuA:
8.49
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.
5fsb TECTONIN 2

(Laccaria
bicolor) 		no annotation 5 LEU A  48
ARG A  12
ILE A  88
GLY A  52
SER A  14
 6YR  A 301 ( 4.6A)
SO4  A 310 ( 2.9A)
None
None
None
 1.33A 3bpxA-5fsbA:
undetectable
3bpxB-5fsbA:
undetectable		 3bpxA-5fsbA:
19.30
3bpxB-5fsbA:
19.30
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 LEU A 266
ILE A  92
PRO A  93
GLY A  94
SER A 258
 None
 1.49A 3bpxA-5gw7A:
undetectable
3bpxB-5gw7A:
undetectable		 3bpxA-5gw7A:
12.16
3bpxB-5gw7A:
12.16
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 ALA A  68
LEU A  62
ILE A  64
PRO A  63
GLY A  65
 None
 1.45A 3bpxA-5i5lA:
undetectable
3bpxB-5i5lA:
undetectable		 3bpxA-5i5lA:
15.12
3bpxB-5i5lA:
15.12
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 LEU A1782
PHE A1649
ILE A1775
GLY A1776
SER A1667
 None
 1.45A 3bpxA-5i6gA:
undetectable
3bpxB-5i6gA:
undetectable		 3bpxA-5i6gA:
9.73
3bpxB-5i6gA:
9.73
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 LEU A1782
PHE A1649
ILE A1775
GLY A1776
SER A1667
 None
 1.44A 3bpxA-5i6hA:
undetectable
3bpxB-5i6hA:
undetectable		 3bpxA-5i6hA:
7.68
3bpxB-5i6hA:
7.68
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 LEU A1782
PHE A1649
ILE A1775
GLY A1776
SER A1667
 None
 1.42A 3bpxA-5i6iA:
undetectable
3bpxB-5i6iA:
undetectable		 3bpxA-5i6iA:
5.25
3bpxB-5i6iA:
5.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ALA A 921
PHE A 947
ILE A 918
PRO A 988
GLY A 927
 None
 1.29A 3bpxA-5ijlA:
0.8
3bpxB-5ijlA:
undetectable		 3bpxA-5ijlA:
9.58
3bpxB-5ijlA:
9.58
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.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 5 ALA A 178
LEU A 182
ARG A 179
PRO A 218
GLY A 221
 None
 1.47A 3bpxA-5oh6A:
undetectable
3bpxB-5oh6A:
undetectable		 3bpxA-5oh6A:
19.75
3bpxB-5oh6A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t12 PHOSPHOENOLPYRUVATE-
-PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF05524
(PEP-utilisers_N) 		5 ALA A 183
PHE A 323
ILE A 366
PRO A 367
GLY A 345
 None
 1.45A 3bpxA-5t12A:
undetectable
3bpxB-5t12A:
undetectable		 3bpxA-5t12A:
20.39
3bpxB-5t12A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wrk AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 5 ALA A 317
LEU A 316
PHE A 394
GLY A 360
SER A 309
 None
 1.15A 3bpxA-5wrkA:
undetectable
3bpxB-5wrkA:
undetectable		 3bpxA-5wrkA:
15.54
3bpxB-5wrkA:
15.54
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.
5wrl AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 5 ALA A 317
LEU A 316
PHE A 394
GLY A 360
SER A 309
 None
 1.20A 3bpxA-5wrlA:
undetectable
3bpxB-5wrlA:
undetectable		 3bpxA-5wrlA:
18.49
3bpxB-5wrlA:
18.49
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 ALA A 369
ARG A 493
ILE A 505
PRO A 506
GLY A 487
 None
 0.73A 3bpxA-5xilA:
1.2
3bpxB-5xilA:
0.9		 3bpxA-5xilA:
18.79
3bpxB-5xilA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnc -

(-) 		no annotation 5 ALA A 165
LEU A 166
PHE A 104
PRO A 172
GLY A 170
 None
 1.48A 3bpxA-5xncA:
6.9
3bpxB-5xncA:
6.6		 3bpxA-5xncA:
undetectable
3bpxB-5xncA:
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 ALA A 266
LEU A 269
PRO A 125
GLY A 126
SER A  13
 None
 0.95A 3bpxA-5xoeA:
undetectable
3bpxB-5xoeA:
undetectable		 3bpxA-5xoeA:
20.33
3bpxB-5xoeA:
20.33
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 ALA A 374
LEU A 373
ILE A 313
PRO A 379
GLY A 377
 None
 1.38A 3bpxA-5ykbA:
undetectable
3bpxB-5ykbA:
undetectable		 3bpxA-5ykbA:
14.13
3bpxB-5ykbA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zmy -

(-) 		no annotation 5 ALA A  73
ARG A  71
ILE A  51
PRO A  48
ARG A  38
 None
 1.44A 3bpxA-5zmyA:
undetectable
3bpxB-5zmyA:
undetectable		 3bpxA-5zmyA:
undetectable
3bpxB-5zmyA:
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.
6a70 -

(-) 		no annotation 5 ALA B3889
LEU B3863
PRO B3887
SER B3984
ARG B3952
 None
 1.50A 3bpxA-6a70B:
undetectable
3bpxB-6a70B:
1.5		 3bpxA-6a70B:
undetectable
3bpxB-6a70B:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT E

(Flavobacterium
johnsoniae) 		no annotation 5 ALA E 171
LEU E 169
ARG E 167
PHE E 145
SER E  88
 None
 1.49A 3bpxA-6btmE:
undetectable
3bpxB-6btmE:
undetectable		 3bpxA-6btmE:
21.53
3bpxB-6btmE:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ALA L  76
LEU L  80
PRO L 461
GLY L 221
ARG L  92
 None
 1.29A 3bpxA-6ehsL:
0.0
3bpxB-6ehsL:
0.5		 3bpxA-6ehsL:
21.13
3bpxB-6ehsL:
21.13