SIMILAR PATTERNS OF AMINO ACIDS FOR 3O94_A_NCAA192

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.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 PHE A 254
LEU A 258
PHE A 263
LEU A 322
ILE A 324
 None
 1.33A 3o94A-1ff9A:
5.2		 3o94A-1ff9A:
19.55
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
 1.09A 3o94A-1im5A:
26.1		 3o94A-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 3o94A-1im5A:
26.1		 3o94A-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.
1jr9 MANGANESE SUPEROXIDE
DISMUTASE

(Virgibacillus
halodenitrificans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 PHE A   3
LEU A  39
HIS A  79
LEU A  57
ILE A  58
 None
 1.48A 3o94A-1jr9A:
undetectable		 3o94A-1jr9A:
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		5 PHE A 364
GLU A 250
HIS A 393
LEU A 256
SER A 331
 None
 1.28A 3o94A-1l5aA:
undetectable		 3o94A-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.
1nep EPIDIDYMAL SECRETORY
PROTEIN E1

(Bos taurus) 		PF02221
(E1_DerP2_DerF2) 		5 ASP A 113
LEU A 111
PHE A  42
ILE A  82
SER A  48
 None
 1.50A 3o94A-1nepA:
undetectable		 3o94A-1nepA:
16.74
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.
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
 1.28A 3o94A-1qi7A:
undetectable		 3o94A-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 3o94A-1r2fA:
undetectable		 3o94A-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
 1.45A 3o94A-1skxA:
undetectable		 3o94A-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
 1.21A 3o94A-1susA:
3.2		 3o94A-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)
 1.45A 3o94A-1u7gA:
undetectable		 3o94A-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
 1.38A 3o94A-1wytA:
undetectable		 3o94A-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
 1.44A 3o94A-1yqeA:
undetectable		 3o94A-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.
1z54 PROBABLE
THIOESTERASE

(Thermus
thermophilus) 		PF03061
(4HBT) 		5 PHE A  89
LEU A  87
PHE A  54
HIS A 107
TYR A  44
 None
None
None
GOL  A 502 ( 4.9A)
GOL  A 502 (-4.8A)
 1.38A 3o94A-1z54A:
undetectable		 3o94A-1z54A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		5 ASP A 383
GLU A 319
PHE A 255
HIS A 348
TYR A 355
 CO  A 502 ( 2.2A)
CO  A 501 ( 2.6A)
CO  A 501 ( 4.9A)
CO  A 501 (-3.4A)
CO  A 502 (-4.9A)
 1.50A 3o94A-1zjcA:
undetectable		 3o94A-1zjcA:
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.
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 3o94A-2avtA:
undetectable		 3o94A-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
 1.14A 3o94A-2cjkA:
undetectable		 3o94A-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.
2dh8 DAZ-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ASP A  76
LEU A  26
PHE A  30
LEU A  17
ILE A  80
 None
 1.19A 3o94A-2dh8A:
undetectable		 3o94A-2dh8A:
21.72
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.
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
 1.06A 3o94A-2fw2A:
undetectable		 3o94A-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
 1.45A 3o94A-2h0rA:
23.4		 3o94A-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
 1.02A 3o94A-2h0rA:
23.4		 3o94A-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
 0.52A 3o94A-2h0rA:
23.4		 3o94A-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.
2k9u GAMMA FILAMIN

(Homo sapiens) 		PF00630
(Filamin) 		5 ASP A  98
PHE A 101
LEU A  28
PHE A  39
ILE A  89
 None
 1.32A 3o94A-2k9uA:
undetectable		 3o94A-2k9uA:
23.50
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.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 PHE A 712
LEU A 718
GLU A 486
PHE A 721
LEU A 833
 None
 1.48A 3o94A-2nztA:
undetectable		 3o94A-2nztA:
13.06
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		5 LEU A 188
GLU A 296
HIS A 190
LEU A 170
SER A 230
 None
 1.24A 3o94A-2pftA:
undetectable		 3o94A-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.
2qlw RHAU

(Rhizobium
leguminosarum) 		PF05336
(rhaM) 		5 PHE A  55
PHE A   8
TYR A  43
ILE A  45
SER A  44
 None
 1.41A 3o94A-2qlwA:
undetectable		 3o94A-2qlwA:
25.45
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.
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 3o94A-2qlxA:
undetectable		 3o94A-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.
2rh7 GREEN FLUORESCENT
PROTEIN

(Renilla
reniformis) 		PF01353
(GFP) 		5 PHE A  87
LEU A 113
TYR A  72
LEU A   8
ILE A  37
 None
 1.32A 3o94A-2rh7A:
undetectable		 3o94A-2rh7A:
23.66
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.
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)
 1.01A 3o94A-2rhpA:
undetectable		 3o94A-2rhpA:
15.88
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)
 0.42A 3o94A-2wt9A:
22.5		 3o94A-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
 1.30A 3o94A-2xp1A:
undetectable		 3o94A-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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		5 ASP A 278
PHE A 196
HIS A 275
LEU A 300
ILE A 261
 None
 1.41A 3o94A-3c6gA:
undetectable		 3o94A-3c6gA:
18.83
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.
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
 1.26A 3o94A-3d37A:
undetectable		 3o94A-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.
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 3o94A-3dx5A:
1.6		 3o94A-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
 1.47A 3o94A-3eefA:
25.2		 3o94A-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
 0.63A 3o94A-3eefA:
25.2		 3o94A-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
 1.39A 3o94A-3einA:
undetectable		 3o94A-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.
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
 1.40A 3o94A-3kwsA:
undetectable		 3o94A-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
 1.50A 3o94A-3ngfA:
undetectable		 3o94A-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
 0.65A 3o94A-3o90A:
36.9		 3o94A-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.
3odn DALLY-LIKE PROTEIN

(Drosophila
melanogaster) 		PF01153
(Glypican) 		5 PHE A 195
LEU A 194
PHE A 216
LEU A 366
ILE A 370
 None
 1.50A 3o94A-3odnA:
undetectable		 3o94A-3odnA:
17.59
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.
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
 0.92A 3o94A-3odpA:
2.4		 3o94A-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)
 0.67A 3o94A-3pl1A:
21.9		 3o94A-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 3o94A-3qfvA:
undetectable		 3o94A-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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 PHE A  29
LEU A  38
PHE A 101
TYR A  56
ILE A  20
 None
 1.44A 3o94A-3qs1A:
undetectable		 3o94A-3qs1A:
19.29
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.
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 3o94A-3r2jA:
23.3		 3o94A-3r2jA:
28.02
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.
3r5x D-ALANINE--D-ALANINE
LIGASE

(Bacillus
anthracis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ASP A 151
LEU A 126
PHE A 123
LEU A 155
ILE A 156
 None
 1.44A 3o94A-3r5xA:
2.0		 3o94A-3r5xA:
24.01
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
 1.31A 3o94A-3s2sA:
35.9		 3o94A-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)
 0.35A 3o94A-3s2sA:
35.9		 3o94A-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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		5 PHE B 451
LEU B 415
PHE B 419
LEU B 455
ILE B 433
 None
 1.47A 3o94A-3s4wB:
undetectable		 3o94A-3s4wB:
9.67
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.
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
 1.28A 3o94A-3zo9A:
undetectable		 3o94A-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
 1.49A 3o94A-3zx2A:
undetectable		 3o94A-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
 1.44A 3o94A-3zx2A:
undetectable		 3o94A-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
 1.38A 3o94A-4bj1A:
undetectable		 3o94A-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
 1.38A 3o94A-4bj6A:
2.3		 3o94A-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)
 1.23A 3o94A-4cnmA:
undetectable		 3o94A-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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 ASP A 312
PHE A 350
LEU A 352
LEU A 316
ILE A 127
 None
 1.40A 3o94A-4evqA:
undetectable		 3o94A-4evqA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		5 ASP A 209
ASP A 211
GLU A 108
HIS A 207
ILE A 173
 None
 1.11A 3o94A-4fe2A:
undetectable		 3o94A-4fe2A:
29.02
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.
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 3o94A-4icqA:
undetectable		 3o94A-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.
4kav YHBX/YHJW/YIJP/YJDB
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00884
(Sulfatase) 		5 LEU A 521
ASP A 523
PHE A 489
LEU A 537
ILE A 495
 None
 1.46A 3o94A-4kavA:
undetectable		 3o94A-4kavA:
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.
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 3o94A-4mycA:
undetectable		 3o94A-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.
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
 1.25A 3o94A-4pwsA:
undetectable		 3o94A-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
 1.26A 3o94A-4q6tA:
undetectable		 3o94A-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
 1.42A 3o94A-4r84A:
5.8		 3o94A-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.
4z61 PHYTOSULFOKINE
RECEPTOR 1
SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 2

(Daucus carota;
Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF13855
(LRR_8)
PF00560
(LRR_1)
PF08263
(LRRNT_2) 		5 LEU C  79
GLU A 584
PHE A 606
LEU C  50
SER C  52
 None
 1.36A 3o94A-4z61C:
undetectable		 3o94A-4z61C:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7e LMO1422 PROTEIN

(Listeria
monocytogenes) 		PF04069
(OpuAC) 		5 ASP A 416
LEU A 414
PHE A 392
TYR A 381
ILE A 384
 None
 1.08A 3o94A-4z7eA:
undetectable		 3o94A-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.
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
 1.38A 3o94A-4zxiA:
2.6		 3o94A-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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 PHE A 616
LEU A 481
HIS A 639
LEU A 547
ILE A 546
 None
 1.49A 3o94A-4zxiA:
2.6		 3o94A-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.
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
 1.39A 3o94A-5auoB:
4.0		 3o94A-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.
5d73 GLUTATHIONE
S-TRANSFERASE

(Wuchereria
bancrofti) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A  70
ASP A  55
HIS A  69
LEU A  21
ILE A  26
 None
 1.47A 3o94A-5d73A:
undetectable		 3o94A-5d73A:
23.53
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.
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)
 1.21A 3o94A-5d7aA:
undetectable		 3o94A-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.
5ek5 IRMA

(Escherichia
coli) 		no annotation 5 ASP A  33
PHE A  41
LEU A  32
ILE A  11
SER A  12
 None
 1.49A 3o94A-5ek5A:
undetectable		 3o94A-5ek5A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 3o94A-5f0gA:
undetectable		 3o94A-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
 1.27A 3o94A-5g39A:
undetectable		 3o94A-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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 PHE A  31
LEU A  40
PHE A 102
TYR A  58
ILE A  22
 None
 1.42A 3o94A-5jodA:
undetectable		 3o94A-5jodA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 3o94A-5o2jA:
undetectable		 3o94A-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.
5ov6 PORPHOBILINOGEN
DEAMINASE

(Bacillus
megaterium) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 ASP A 104
LEU A 106
PHE A 114
ILE A 190
SER A 191
 None
 1.29A 3o94A-5ov6A:
undetectable		 3o94A-5ov6A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
 None
 1.28A 3o94A-5x7uA:
undetectable		 3o94A-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
 1.32A 3o94A-5x7uA:
undetectable		 3o94A-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
 1.39A 3o94A-5xwqA:
undetectable		 3o94A-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
 1.36A 3o94A-6a8lA:
34.0		 3o94A-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
 0.74A 3o94A-6a8lA:
34.0		 3o94A-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.
6bvp 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Cupriavidus
metallidurans) 		no annotation 5 PHE A 121
ASP A 119
GLU A 110
HIS A  51
ILE A 142
 None
None
FE2  A 202 ( 4.6A)
FE2  A 202 (-3.3A)
None
 1.06A 3o94A-6bvpA:
undetectable		 3o94A-6bvpA:
undetectable