SIMILAR PATTERNS OF AMINO ACIDS FOR 3O94_B_NCAB192_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1im5 180AA LONG
HYPOTHETICAL
PYRAZINAMIDASE/NICOT
INAMIDASE

(Pyrococcus
horikoshii) 		PF00857
(Isochorismatase) 		5 ASP A  10
PHE A  15
ASP A  52
GLU A 101
TYR A 103
 None
None
ZN  A 400 (-2.5A)
ZN  A 400 ( 4.1A)
None
 1.10A 3o94B-1im5A:
26.0		 3o94B-1im5A:
30.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1im5 180AA LONG
HYPOTHETICAL
PYRAZINAMIDASE/NICOT
INAMIDASE

(Pyrococcus
horikoshii) 		PF00857
(Isochorismatase) 		6 ASP A  10
PHE A  15
LEU A  21
ASP A  52
HIS A  71
TYR A 103
 None
None
None
ZN  A 400 (-2.5A)
ZN  A 400 (-3.4A)
None
 0.63A 3o94B-1im5A:
26.0		 3o94B-1im5A:
30.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		5 PHE A 364
GLU A 250
HIS A 393
LEU A 256
SER A 331
 None
 1.29A 3o94B-1l5aA:
0.0		 3o94B-1l5aA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 PHE A1009
LEU A1014
TYR A1086
ILE A1085
SER A1082
 TEI  A3006 (-4.8A)
None
None
None
MTE  A3003 (-3.0A)
 1.50A 3o94B-1n5xA:
undetectable		 3o94B-1n5xA:
10.96
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 LEU A 114
GLU A 118
PHE A  90
ILE A 123
SER A 122
 None
 1.31A 3o94B-1qi7A:
undetectable		 3o94B-1qi7A:
21.48
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.
1r2f PROTEIN
(RIBONUCLEOTIDE
REDUCTASE R2)

(Salmonella
enterica) 		PF00268
(Ribonuc_red_sm) 		5 ASP A  67
GLU A 192
HIS A 101
LEU A 184
ILE A 185
 FE  A 400 (-3.0A)
FE  A 400 ( 2.1A)
FE  A 400 (-3.4A)
None
None
 1.38A 3o94B-1r2fA:
undetectable		 3o94B-1r2fA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1skx ORPHAN NUCLEAR
RECEPTOR PXR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASP A 266
LEU A 365
PHE A 369
ILE A 261
SER A 262
 None
 1.48A 3o94B-1skxA:
undetectable		 3o94B-1skxA:
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 PHE A 161
LEU A  71
ASP A 189
PHE A  70
ILE A 242
 None
None
CA  A 305 (-3.2A)
None
None
 1.22A 3o94B-1susA:
3.1		 3o94B-1susA:
21.32
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 PHE A 193
LEU A  35
ASP A 313
PHE A  31
LEU A 259
 None
None
BOG  A 400 (-4.7A)
NH3  A 401 ( 4.3A)
BOG  A 400 (-4.3A)
 1.50A 3o94B-1u7gA:
undetectable		 3o94B-1u7gA:
19.74
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 LEU A 258
PHE A 269
TYR A 113
LEU A 120
ILE A 117
 None
 1.41A 3o94B-1wytA:
undetectable		 3o94B-1wytA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqe HYPOTHETICAL UPF0204
PROTEIN AF0625

(Archaeoglobus
fulgidus) 		PF04414
(tRNA_deacylase) 		5 ASP A  18
GLU A  46
TYR A  37
LEU A  20
ILE A  44
 None
 1.43A 3o94B-1yqeA:
undetectable		 3o94B-1yqeA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ASP A 314
GLU A 293
HIS A 302
LEU A 315
ILE A 299
 None
 1.14A 3o94B-2avtA:
undetectable		 3o94B-2avtA:
20.32
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.
2cjk NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
4

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 ASP A 224
LEU A 175
PHE A 179
LEU A 166
ILE A 228
 None
 1.17A 3o94B-2cjkA:
undetectable		 3o94B-2cjkA:
18.75
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.
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B

(Homo sapiens) 		PF00378
(ECH_1) 		5 ASP A 425
PHE A 372
LEU A 401
ILE A 398
SER A 397
 None
 1.14A 3o94B-2fbmA:
undetectable		 3o94B-2fbmA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 ASP A 145
PHE A  92
LEU A 121
ILE A 118
SER A 117
 None
 1.07A 3o94B-2fw2A:
undetectable		 3o94B-2fw2A:
22.35
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		5 ASP A   8
ASP A  51
GLU A 129
HIS A  53
TYR A 131
 None
ZN  A 301 (-2.6A)
ZN  A 301 ( 3.9A)
ZN  A 301 (-3.2A)
None
 1.44A 3o94B-2h0rA:
23.3		 3o94B-2h0rA:
24.70
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		5 ASP A   8
PHE A  13
ASP A  51
GLU A 129
TYR A 131
 None
None
ZN  A 301 (-2.6A)
ZN  A 301 ( 3.9A)
None
 1.03A 3o94B-2h0rA:
23.3		 3o94B-2h0rA:
24.70
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.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		6 ASP A   8
PHE A  13
LEU A  20
ASP A  51
HIS A  94
TYR A 131
 None
None
None
ZN  A 301 (-2.6A)
ZN  A 301 (-3.4A)
None
 0.49A 3o94B-2h0rA:
23.3		 3o94B-2h0rA:
24.70
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		5 LEU A 188
GLU A 296
HIS A 190
LEU A 170
SER A 230
 None
 1.28A 3o94B-2pftA:
undetectable		 3o94B-2pftA:
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.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		5 ASP A  27
LEU A 151
PHE A  58
LEU A  28
ILE A  21
 None
 1.43A 3o94B-2poeA:
undetectable		 3o94B-2poeA:
24.77
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.
2qlx L-RHAMNOSE
MUTAROTASE

(Rhizobium
leguminosarum) 		PF05336
(rhaM) 		5 PHE A  55
PHE A   8
TYR A  43
ILE A  45
SER A  44
 None
None
RM4  A 300 (-4.6A)
None
None
 1.41A 3o94B-2qlxA:
undetectable		 3o94B-2qlxA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 ASP A 939
ASP A 937
HIS A 887
ILE A 954
SER A 955
 CA  A1173 ( 2.9A)
CA  A   2 ( 2.6A)
None
None
CA  A1173 (-2.9A)
 1.02A 3o94B-2rhpA:
undetectable		 3o94B-2rhpA:
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		5 ASP A 471
PHE A 469
LEU A 491
LEU A 483
SER A 482
 None
 1.48A 3o94B-2vrkA:
undetectable		 3o94B-2vrkA:
17.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wt9 NICOTINAMIDASE

(Acinetobacter
baumannii) 		PF00857
(Isochorismatase) 		6 ASP A  16
PHE A  21
LEU A  27
ASP A  54
HIS A  89
TYR A 123
 NIO  A1216 (-3.8A)
NIO  A1216 (-3.7A)
None
ZN  A1212 ( 2.6A)
ZN  A1212 ( 3.5A)
NIO  A1216 (-4.9A)
 0.38A 3o94B-2wt9A:
22.4		 3o94B-2wt9A:
31.98
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.
2xp1 SPT6

(Antonospora
locustae) 		PF14633
(SH2_2) 		5 ASP A 944
ASP A 946
PHE A 905
HIS A 879
LEU A 935
 None
 1.29A 3o94B-2xp1A:
undetectable		 3o94B-2xp1A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 LEU A 177
ASP A  80
PHE A 178
HIS A 217
LEU A 117
 None
ZN  A 601 ( 2.7A)
None
ZN  A 601 (-3.5A)
None
 1.41A 3o94B-3c9fA:
undetectable		 3o94B-3c9fA:
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.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 5 ASP A  53
LEU A  87
LEU A  54
ILE A  73
SER A  55
 None
 1.28A 3o94B-3d37A:
undetectable		 3o94B-3d37A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8d AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 1

(Homo sapiens) 		PF00640
(PID) 		5 PHE A 370
LEU A 424
PHE A 465
LEU A 426
SER A 494
 None
 1.48A 3o94B-3d8dA:
undetectable		 3o94B-3d8dA:
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.
3dx5 UNCHARACTERIZED
PROTEIN ASBF

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ASP A 237
PHE A 230
LEU A 229
PHE A 199
ILE A 239
 None
 1.39A 3o94B-3dx5A:
undetectable		 3o94B-3dx5A:
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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		6 ASP A   9
ASP A  50
GLU A  58
HIS A  52
TYR A  93
ILE A 122
 None
ZN  A 183 (-2.6A)
ZN  A 183 (-2.6A)
ZN  A 183 (-3.4A)
None
None
 1.46A 3o94B-3eefA:
25.0		 3o94B-3eefA:
29.36
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.
3eef N-CARBAMOYLSARCOSINE
AMIDASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00857
(Isochorismatase) 		7 ASP A   9
PHE A  14
ASP A  50
GLU A  58
HIS A  65
TYR A  93
ILE A 122
 None
None
ZN  A 183 (-2.6A)
ZN  A 183 (-2.6A)
ZN  A 183 (-3.4A)
None
None
 0.65A 3o94B-3eefA:
25.0		 3o94B-3eefA:
29.36
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ASP A  58
LEU A  27
PHE A   4
LEU A  73
ILE A  69
 None
 1.42A 3o94B-3einA:
undetectable		 3o94B-3einA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnq VIRULENCE PROTEIN
STM3117

(Salmonella
enterica) 		PF00903
(Glyoxalase) 		5 LEU A  45
ASP A 132
PHE A  91
LEU A  59
ILE A  66
 None
 1.26A 3o94B-3hnqA:
undetectable		 3o94B-3hnqA:
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.
3hvd PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 LEU A 523
PHE A 552
TYR A 575
LEU A 540
ILE A 547
 None
 1.04A 3o94B-3hvdA:
undetectable		 3o94B-3hvdA:
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ASP A 385
LEU A 345
LEU A 397
ILE A 184
SER A 398
 None
 1.31A 3o94B-3ig4A:
2.2		 3o94B-3ig4A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kws PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		5 LEU A 192
ASP A 223
GLU A 287
HIS A 226
ILE A 147
 None
MG  A 401 (-3.1A)
MG  A 401 (-2.6A)
None
None
 1.39A 3o94B-3kwsA:
undetectable		 3o94B-3kwsA:
20.96
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.
3ngf AP ENDONUCLEASE,
FAMILY 2

(Brucella
abortus) 		PF01261
(AP_endonuc_2) 		5 ASP A 177
GLU A  33
HIS A 201
LEU A 178
ILE A 204
 MN  A 262 (-3.2A)
None
None
None
None
 1.48A 3o94B-3ngfA:
undetectable		 3o94B-3ngfA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		10 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 None
None
None
ZN  A 192 (-2.3A)
ZN  A 192 (-2.6A)
None
ZN  A 192 (-3.2A)
None
None
None
 0.62A 3o94B-3o90A:
37.0		 3o94B-3o90A:
99.53
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		5 LEU A  49
GLU A  83
PHE A 191
LEU A 110
ILE A  60
 None
 0.98A 3o94B-3odpA:
2.1		 3o94B-3odpA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 ASP A   8
PHE A  13
LEU A  19
ASP A  49
HIS A  71
 None
None
None
FE2  A 188 (-2.6A)
FE2  A 188 (-3.4A)
 0.59A 3o94B-3pl1A:
21.8		 3o94B-3pl1A:
29.55
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 132
PHE A 219
LEU A 194
ILE A 191
SER A 190
 None
 1.25A 3o94B-3qfvA:
undetectable		 3o94B-3qfvA:
18.44
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.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		6 ASP A  32
PHE A  37
LEU A  44
ASP A  73
HIS A  92
TYR A 126
 NIO  A 311 (-3.9A)
None
None
ZN  A 301 ( 2.5A)
ZN  A 301 ( 3.4A)
None
 0.49A 3o94B-3r2jA:
23.2		 3o94B-3r2jA:
28.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		5 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 CAD  A 185 (-3.7A)
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
ZN  A 184 (-3.3A)
None
 1.30A 3o94B-3s2sA:
35.8		 3o94B-3s2sA:
71.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2s PUTATIVE
PYRAZINAMIDASE/NICOT
INAMIDASE

(Streptococcus
mutans) 		PF00857
(Isochorismatase) 		10 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
LEU A 132
ILE A 135
 CAD  A 185 (-3.7A)
CAD  A 185 (-3.3A)
None
ZN  A 184 (-2.6A)
ZN  A 184 (-2.5A)
None
ZN  A 184 (-3.4A)
None
CAD  A 185 (-3.9A)
CAD  A 185 (-3.4A)
 0.29A 3o94B-3s2sA:
35.8		 3o94B-3s2sA:
71.11
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 LEU A 523
PHE A 552
TYR A 575
LEU A 540
ILE A 547
 None
 1.09A 3o94B-3texA:
undetectable		 3o94B-3texA:
14.83
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.
3tx1 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Listeria
monocytogenes) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ASP A 103
LEU A 116
PHE A 186
LEU A 101
ILE A 126
 None
 1.28A 3o94B-3tx1A:
undetectable		 3o94B-3tx1A:
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES

(Mycolicibacterium
smegmatis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 LEU A  63
PHE A  49
TYR A  42
LEU A  67
ILE A  70
 None
 1.33A 3o94B-3zo9A:
undetectable		 3o94B-3zo9A:
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 ASP A 268
LEU A 261
PHE A 415
ILE A 328
SER A 327
 None
 1.46A 3o94B-3zx2A:
undetectable		 3o94B-3zx2A:
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 LEU A 261
ASP A 279
PHE A 415
ILE A 328
SER A 327
 None
 1.42A 3o94B-3zx2A:
undetectable		 3o94B-3zx2A:
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.
4bj1 PROTEIN RIF2

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 232
LEU A 236
PHE A 247
LEU A 266
ILE A 110
 None
 1.42A 3o94B-4bj1A:
undetectable		 3o94B-4bj1A:
24.48
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.
4bj6 RAP1-INTERACTING
FACTOR 2

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 232
LEU A 236
PHE A 247
LEU A 266
ILE A 110
 None
 1.42A 3o94B-4bj6A:
2.2		 3o94B-4bj6A:
23.78
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.
4cnm TROPHOBLAST
GLYCOPROTEIN

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 ASP A 148
LEU A 178
LEU A 149
ILE A 183
SER A 150
 CIT  A1356 ( 2.5A)
None
None
None
CIT  A1356 (-3.2A)
 1.28A 3o94B-4cnmA:
undetectable		 3o94B-4cnmA:
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.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 ASP A 204
LEU A 308
PHE A  98
LEU A 208
SER A 206
 None
 1.25A 3o94B-4ecaA:
undetectable		 3o94B-4ecaA:
20.73
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		5 ASP A 383
GLU A 319
PHE A 255
HIS A 348
TYR A 355
 ZN  A 501 (-2.2A)
ZN  A 502 ( 2.5A)
None
ZN  A 502 (-3.5A)
ZN  A 501 (-4.8A)
 1.47A 3o94B-4icqA:
undetectable		 3o94B-4icqA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4myc IRON-SULFUR CLUSTERS
TRANSPORTER ATM1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 PHE A 254
LEU A 377
PHE A 130
LEU A 250
ILE A 249
 None
 1.36A 3o94B-4mycA:
undetectable		 3o94B-4mycA:
16.02
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.
4nvs PUTATIVE ENZYME,
GLYOXALASE FAMILY

(Clostridioides
difficile) 		PF12681
(Glyoxalase_2) 		5 LEU A  24
ASP A 110
PHE A  72
LEU A  38
ILE A  42
 None
 1.35A 3o94B-4nvsA:
undetectable		 3o94B-4nvsA:
19.25
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.
4pws PROLINE-RICH 28 KDA
ANTIGEN

(Mycobacterium
tuberculosis) 		PF10738
(Lpp-LpqN) 		5 LEU A 110
PHE A 177
HIS A 109
LEU A 242
ILE A 233
 None
 1.32A 3o94B-4pwsA:
undetectable		 3o94B-4pwsA:
24.57
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		5 ASP A 102
LEU A 146
PHE A 162
LEU A  67
ILE A 118
 None
 1.29A 3o94B-4q6tA:
undetectable		 3o94B-4q6tA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 ASP A  69
PHE A  75
LEU A  42
PHE A  77
ILE A  64
 None
 1.48A 3o94B-4r84A:
5.8		 3o94B-4r84A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7e LMO1422 PROTEIN

(Listeria
monocytogenes) 		PF04069
(OpuAC) 		5 ASP A 416
LEU A 414
PHE A 392
TYR A 381
ILE A 384
 None
 1.15A 3o94B-4z7eA:
undetectable		 3o94B-4z7eA:
23.86
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 LEU A 314
GLU A 185
PHE A 321
LEU A 200
ILE A 188
 None
 1.46A 3o94B-4zr5A:
undetectable		 3o94B-4zr5A:
15.80
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A 616
HIS A 639
TYR A 556
LEU A 547
ILE A 546
 None
 1.42A 3o94B-4zxiA:
2.6		 3o94B-4zxiA:
11.25
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 ASP A 251
LEU A 572
PHE A 565
LEU A 249
ILE A 253
 None
 1.39A 3o94B-5aeeA:
undetectable		 3o94B-5aeeA:
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.
5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG

(Thermococcus
kodakarensis) 		PF10609
(ParA) 		5 ASP B 139
PHE B 147
LEU B 114
ILE B 115
SER B 111
 None
 1.41A 3o94B-5auoB:
4.2		 3o94B-5auoB:
20.31
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.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A  14
GLU A  63
LEU A  18
ILE A  90
SER A  16
 ASP  A  14 ( 0.6A)
GLU  A  63 ( 0.6A)
LEU  A  18 ( 0.6A)
ILE  A  90 ( 0.7A)
SER  A  16 ( 0.0A)
 1.22A 3o94B-5d7aA:
undetectable		 3o94B-5d7aA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0g GLUTATHIONE
S-TRANSFERASE D2

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ASP A  57
LEU A  26
PHE A   3
LEU A  72
ILE A  68
 None
 1.40A 3o94B-5f0gA:
undetectable		 3o94B-5f0gA:
23.38
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.
5g39 PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		5 PHE A 183
LEU A 150
PHE A 135
LEU A  43
ILE A  40
 None
 1.31A 3o94B-5g39A:
undetectable		 3o94B-5g39A:
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 PHE B 512
LEU B 497
PHE B 485
LEU B 468
ILE B 471
 None
 1.37A 3o94B-5hb4B:
undetectable		 3o94B-5hb4B:
8.98
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.
5jvb PHOSPHONATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHONATE-BINDING
PROTEIN

(Trichodesmium
erythraeum) 		no annotation 5 ASP A  54
LEU A  20
ASP A 127
ILE A  59
SER A  56
 None
 1.41A 3o94B-5jvbA:
undetectable		 3o94B-5jvbA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP B 673
LEU B 681
LEU B 618
ILE B 622
SER B 619
 None
BOG  B 701 (-4.4A)
None
None
None
 1.47A 3o94B-5mrwB:
undetectable		 3o94B-5mrwB:
14.99
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.
5o2j PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN PTXB

(Pseudomonas
stutzeri) 		no annotation 5 ASP A  48
LEU A  14
ASP A 121
ILE A  53
SER A  50
 None
 1.39A 3o94B-5o2jA:
undetectable		 3o94B-5o2jA:
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.
5tpc BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 LEU A 928
ASP A 890
LEU A1074
ILE A 878
SER A 877
 None
 1.44A 3o94B-5tpcA:
undetectable		 3o94B-5tpcA:
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
 None
 1.33A 3o94B-5x7uA:
undetectable		 3o94B-5x7uA:
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 PHE A  86
LEU A  35
PHE A  21
LEU A  39
ILE A  42
 None
 1.36A 3o94B-5x7uA:
undetectable		 3o94B-5x7uA:
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 PHE A 116
LEU A 113
ASP A 118
GLU A 171
LEU A 137
 None
None
MG  A 501 (-2.6A)
MG  A 501 (-4.2A)
None
 1.40A 3o94B-5xwqA:
undetectable		 3o94B-5xwqA:
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.
6a8l -

(-) 		no annotation 5 ASP A   9
ASP A  53
GLU A  64
HIS A  55
TYR A 106
 None
ZN  A 200 (-2.7A)
ZN  A 200 (-2.4A)
ZN  A 200 (-3.2A)
None
 1.34A 3o94B-6a8lA:
34.0		 3o94B-6a8lA:
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.
6a8l -

(-) 		no annotation 9 ASP A   9
PHE A  14
LEU A  21
ASP A  53
GLU A  64
PHE A  68
HIS A  71
TYR A 106
ILE A 135
 None
None
None
ZN  A 200 (-2.7A)
ZN  A 200 (-2.4A)
None
ZN  A 200 (-3.4A)
None
None
 0.69A 3o94B-6a8lA:
34.0		 3o94B-6a8lA:
undetectable