SIMILAR PATTERNS OF AMINO ACIDS FOR 5OY0_1_PQN1842

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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 PHE A 289
LEU A 290
GLY A 287
ILE A 399
LEU A 396
 None
 1.22A 5oy01-1cg4A:
undetectable
5oy07-1cg4A:
0.0		 5oy01-1cg4A:
13.70
5oy07-1cg4A:
6.50
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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 PHE A 152
ALA A 121
LEU A 117
GLY A 116
LEU A 401
 None
 1.19A 5oy01-1ehkA:
0.6
5oy07-1ehkA:
0.0		 5oy01-1ehkA:
8.78
5oy07-1ehkA:
5.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanothermobacter
thermautotrophicus) 		PF00296
(Bac_luciferase) 		5 SER A 165
ALA A 202
LEU A 169
GLY A 151
ILE A  16
 None
 1.17A 5oy01-1f07A:
0.0
5oy07-1f07A:
undetectable		 5oy01-1f07A:
14.02
5oy07-1f07A:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggp PROTEIN (LECTIN 1 A
CHAIN)

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 SER A 183
ALA A 186
LEU A 129
GLY A 130
LEU A 201
 None
 1.27A 5oy01-1ggpA:
undetectable
5oy07-1ggpA:
undetectable		 5oy01-1ggpA:
15.98
5oy07-1ggpA:
11.50
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.
1iy1 ATP-DEPENDENT
METALLOPROTEASE FTSH

(Thermus
thermophilus) 		PF00004
(AAA) 		5 ALA A 310
LEU A 311
GLY A 261
ILE A 171
LEU A 175
 None
 0.96A 5oy01-1iy1A:
undetectable
5oy07-1iy1A:
0.0		 5oy01-1iy1A:
14.46
5oy07-1iy1A:
11.76
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.
1iy2 ATP-DEPENDENT
METALLOPROTEASE FTSH

(Thermus
thermophilus) 		PF00004
(AAA) 		5 ALA A 310
LEU A 311
GLY A 261
ILE A 171
LEU A 175
 None
 0.98A 5oy01-1iy2A:
undetectable
5oy07-1iy2A:
0.0		 5oy01-1iy2A:
14.02
5oy07-1iy2A:
12.22
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF01380
(SIS) 		5 SER A 362
LEU A 342
GLY A 369
ILE A 433
LEU A 437
 None
 1.04A 5oy01-1morA:
undetectable
5oy07-1morA:
undetectable		 5oy01-1morA:
12.75
5oy07-1morA:
8.36
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 PHE A 159
ALA A 154
LEU A 155
GLY A 167
LEU A 269
 None
 1.17A 5oy01-1mt6A:
undetectable
5oy07-1mt6A:
undetectable		 5oy01-1mt6A:
15.36
5oy07-1mt6A:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 0.98A 5oy01-1ogyA:
undetectable
5oy07-1ogyA:
0.0		 5oy01-1ogyA:
7.49
5oy07-1ogyA:
5.03
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.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 PHE A 150
ARG A 153
LEU A 152
ILE A  10
LEU A  81
 None
 1.06A 5oy01-1oy1A:
undetectable
5oy07-1oy1A:
undetectable		 5oy01-1oy1A:
16.00
5oy07-1oy1A:
10.53
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 ALA A 378
LEU A 381
GLY A 384
ILE A 345
LEU A 317
 None
 1.25A 5oy01-1u2xA:
undetectable
5oy07-1u2xA:
undetectable		 5oy01-1u2xA:
12.29
5oy07-1u2xA:
6.13
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 PHE A 383
ALA A 390
LEU A 387
GLY A 384
LEU A 155
 None
 1.07A 5oy01-1u2xA:
undetectable
5oy07-1u2xA:
undetectable		 5oy01-1u2xA:
12.29
5oy07-1u2xA:
6.13
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 SER A 116
LEU A 209
GLY A 208
ILE A 189
LEU A 193
 None
 1.12A 5oy01-1vhkA:
undetectable
5oy07-1vhkA:
undetectable		 5oy01-1vhkA:
15.02
5oy07-1vhkA:
9.33
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ARG A 211
ALA A 203
GLY A 210
ILE A 163
LEU A 164
 None
 1.08A 5oy01-1xocA:
undetectable
5oy07-1xocA:
undetectable		 5oy01-1xocA:
9.69
5oy07-1xocA:
5.73
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A  34
LEU A  29
GLY A  28
ILE A 124
LEU A 176
 None
 1.21A 5oy01-2b4qA:
undetectable
5oy07-2b4qA:
undetectable		 5oy01-2b4qA:
13.08
5oy07-2b4qA:
9.78
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.
2c2l CARBOXY TERMINUS OF
HSP70-INTERACTING
PROTEIN

(Mus musculus) 		PF04564
(U-box)
PF12895
(ANAPC3) 		5 MET A 108
SER A 110
LEU A 101
GLY A 102
ILE A  54
 None
 1.18A 5oy01-2c2lA:
undetectable
5oy07-2c2lA:
undetectable		 5oy01-2c2lA:
15.41
5oy07-2c2lA:
10.12
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ALA A 275
LEU A 274
GLY A 270
ILE A  97
LEU A 135
 None
 1.25A 5oy01-2dbyA:
undetectable
5oy07-2dbyA:
undetectable		 5oy01-2dbyA:
11.75
5oy07-2dbyA:
7.34
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.
2esn PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 ARG A 182
ALA A 265
LEU A 264
GLY A 242
LEU A 278
 None
 1.25A 5oy01-2esnA:
undetectable
5oy07-2esnA:
undetectable		 5oy01-2esnA:
12.93
5oy07-2esnA:
9.70
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 PHE A 248
ALA A 222
LEU A 223
ILE A 288
LEU A 296
 None
 1.02A 5oy01-2g5cA:
undetectable
5oy07-2g5cA:
2.0		 5oy01-2g5cA:
15.24
5oy07-2g5cA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hio PROTEIN (HISTONE
H2A)

(Gallus gallus) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 SER A  16
LEU A  23
GLY A  22
ILE A  62
LEU A  83
 None
 1.27A 5oy01-2hioA:
undetectable
5oy07-2hioA:
1.9		 5oy01-2hioA:
22.81
5oy07-2hioA:
16.13
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.
2hne L-FUCONATE
DEHYDRATASE

(Xanthomonas
campestris) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  40
ALA A  48
LEU A  39
ILE A 136
LEU A 144
 None
 1.26A 5oy01-2hneA:
undetectable
5oy07-2hneA:
undetectable		 5oy01-2hneA:
10.02
5oy07-2hneA:
6.50
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		5 SER A 362
LEU A 342
GLY A 369
ILE A 433
LEU A 437
 None
 1.00A 5oy01-2j6hA:
undetectable
5oy07-2j6hA:
undetectable		 5oy01-2j6hA:
8.61
5oy07-2j6hA:
7.08
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 131
SER A 133
ALA A 123
LEU A 126
GLY A 130
 None
 1.10A 5oy01-2nyaA:
undetectable
5oy07-2nyaA:
undetectable		 5oy01-2nyaA:
8.36
5oy07-2nyaA:
5.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		5 TRP A  51
ALA A  48
GLY A 208
ILE A  19
LEU A  12
 None
 1.07A 5oy01-2opjA:
undetectable
5oy07-2opjA:
undetectable		 5oy01-2opjA:
12.54
5oy07-2opjA:
6.73
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 ALA A 202
LEU A 176
GLY A 180
ILE A 123
LEU A 130
 None
 1.00A 5oy01-2owoA:
undetectable
5oy07-2owoA:
undetectable		 5oy01-2owoA:
10.12
5oy07-2owoA:
5.65
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.
2p2v ALPHA-2,3-SIALYLTRAN
SFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A 170
ALA A 232
LEU A 231
ILE A 156
LEU A 127
 None
 1.19A 5oy01-2p2vA:
undetectable
5oy07-2p2vA:
undetectable		 5oy01-2p2vA:
13.87
5oy07-2p2vA:
10.19
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.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 PHE A 183
ALA A 294
GLY A 182
ILE A 263
LEU A 264
 None
 1.21A 5oy01-2qi9A:
undetectable
5oy07-2qi9A:
undetectable		 5oy01-2qi9A:
11.56
5oy07-2qi9A:
8.66
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 SER A 112
ALA A 123
LEU A 120
ILE A 296
LEU A 298
 None
 1.05A 5oy01-2qpqA:
undetectable
5oy07-2qpqA:
undetectable		 5oy01-2qpqA:
13.75
5oy07-2qpqA:
6.98
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE M 343
ALA M 337
LEU M 341
GLY M 342
LEU M 660
 None
 1.25A 5oy01-2w4gM:
undetectable
5oy07-2w4gM:
undetectable		 5oy01-2w4gM:
7.10
5oy07-2w4gM:
4.68
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.
2wqq ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A 155
ALA A 218
LEU A 217
ILE A 141
LEU A 112
 None
 1.19A 5oy01-2wqqA:
undetectable
5oy07-2wqqA:
undetectable		 5oy01-2wqqA:
13.97
5oy07-2wqqA:
10.32
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A 155
ALA A 218
LEU A 217
ILE A 141
LEU A 112
 None
 1.19A 5oy01-2x63A:
undetectable
5oy07-2x63A:
undetectable		 5oy01-2x63A:
17.33
5oy07-2x63A:
13.33
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.
2xmz HYDROLASE,
ALPHA/BETA HYDROLASE
FOLD FAMILY

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		5 ARG A 187
ALA A 135
LEU A 186
GLY A 190
LEU A 160
 None
 1.25A 5oy01-2xmzA:
undetectable
5oy07-2xmzA:
undetectable		 5oy01-2xmzA:
15.85
5oy07-2xmzA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		5 ARG A  43
ALA A  39
LEU A  42
GLY A  55
ILE A  89
 None
 1.22A 5oy01-2y93A:
undetectable
5oy07-2y93A:
undetectable		 5oy01-2y93A:
17.54
5oy07-2y93A:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
 None
 1.26A 5oy01-2ykyA:
undetectable
5oy07-2ykyA:
undetectable		 5oy01-2ykyA:
12.53
5oy07-2ykyA:
7.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		5 PHE A 242
ALA A 162
LEU A  87
ILE A  64
LEU A  65
 None
 1.15A 5oy01-2yvlA:
undetectable
5oy07-2yvlA:
undetectable		 5oy01-2yvlA:
15.74
5oy07-2yvlA:
11.89
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.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 SER A  80
ALA A  86
LEU A  76
GLY A  77
LEU A 146
 None
 1.22A 5oy01-3a1wA:
undetectable
5oy07-3a1wA:
undetectable		 5oy01-3a1wA:
20.38
5oy07-3a1wA:
14.08
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		5 PHE A 382
ALA A 246
LEU A 250
ILE A 351
LEU A 348
 None
 1.17A 5oy01-3ahrA:
undetectable
5oy07-3ahrA:
undetectable		 5oy01-3ahrA:
11.29
5oy07-3ahrA:
6.45
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.
3buj CALO2

(Micromonospora
echinospora) 		PF00067
(p450) 		5 ARG A 140
LEU A 143
GLY A 144
ILE A 183
LEU A  70
 None
 1.27A 5oy01-3bujA:
undetectable
5oy07-3bujA:
undetectable		 5oy01-3bujA:
12.29
5oy07-3bujA:
5.57
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 PHE A 219
ARG A 221
LEU A 218
ILE A 494
LEU A 490
 None
 1.16A 5oy01-3byvA:
undetectable
5oy07-3byvA:
undetectable		 5oy01-3byvA:
14.29
5oy07-3byvA:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 PHE A 159
ALA A 154
LEU A 155
GLY A 167
LEU A 269
 None
 1.12A 5oy01-3cboA:
undetectable
5oy07-3cboA:
undetectable		 5oy01-3cboA:
17.28
5oy07-3cboA:
11.44
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.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ARG A 150
ALA A 118
GLY A 123
ILE A  47
LEU A  13
 None
 1.22A 5oy01-3d1jA:
undetectable
5oy07-3d1jA:
undetectable		 5oy01-3d1jA:
11.83
5oy07-3d1jA:
7.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 ALA C 193
LEU C 194
GLY C 271
ILE C 180
LEU C 176
 None
 1.20A 5oy01-3degC:
undetectable
5oy07-3degC:
undetectable		 5oy01-3degC:
10.16
5oy07-3degC:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 ALA A  53
LEU A  56
GLY A  59
ILE A 318
LEU A 341
 None
 1.22A 5oy01-3djlA:
2.4
5oy07-3djlA:
undetectable		 5oy01-3djlA:
9.51
5oy07-3djlA:
5.36
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 430
ALA A 299
GLY A 439
ILE A 454
LEU A 455
 HEM  A 500 (-4.5A)
HEM  A 500 ( 3.3A)
HEM  A 500 ( 3.7A)
None
None
 1.21A 5oy01-3e4eA:
undetectable
5oy07-3e4eA:
undetectable		 5oy01-3e4eA:
14.14
5oy07-3e4eA:
6.93
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		6 PHE A 211
SER A 209
ALA A 270
LEU A 274
GLY A 275
ILE A  42
 None
 1.50A 5oy01-3eqaA:
undetectable
5oy07-3eqaA:
undetectable		 5oy01-3eqaA:
11.85
5oy07-3eqaA:
10.85
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 ALA A 132
LEU A 164
GLY A 163
ILE A 104
LEU A  76
 None
 1.18A 5oy01-3euaA:
undetectable
5oy07-3euaA:
undetectable		 5oy01-3euaA:
12.16
5oy07-3euaA:
8.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 PHE D 248
ALA D 222
LEU D 223
ILE D 288
LEU D 296
 None
 1.09A 5oy01-3gggD:
undetectable
5oy07-3gggD:
undetectable		 5oy01-3gggD:
15.04
5oy07-3gggD:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 MET A 163
ALA A 171
GLY A 194
ILE A 346
LEU A 323
 SAH  A 350 ( 3.7A)
None
None
None
None
 1.14A 5oy01-3gxoA:
undetectable
5oy07-3gxoA:
undetectable		 5oy01-3gxoA:
14.83
5oy07-3gxoA:
7.04
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 298
LEU A   8
GLY A   7
ILE A 251
LEU A 241
 None
 1.06A 5oy01-3h77A:
undetectable
5oy07-3h77A:
undetectable		 5oy01-3h77A:
13.75
5oy07-3h77A:
8.60
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.
3h7v O-SUCCINYLBENZOATE
SYNTHASE

(Thermosynechococcus
elongatus) 		PF13378
(MR_MLE_C) 		5 SER A 125
ARG A 300
LEU A 111
GLY A 297
LEU A 205
 None
 1.22A 5oy01-3h7vA:
undetectable
5oy07-3h7vA:
undetectable		 5oy01-3h7vA:
13.77
5oy07-3h7vA:
8.28
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.
3hid ADENYLOSUCCINATE
SYNTHETASE

(Yersinia pestis) 		PF00709
(Adenylsucc_synt) 		5 PHE A 290
LEU A 291
GLY A 288
ILE A 400
LEU A 397
 None
 1.25A 5oy01-3hidA:
undetectable
5oy07-3hidA:
undetectable		 5oy01-3hidA:
13.37
5oy07-3hidA:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 ALA A 221
LEU A 217
GLY A 214
ILE A  82
LEU A 116
 None
 1.24A 5oy01-3hr8A:
undetectable
5oy07-3hr8A:
undetectable		 5oy01-3hr8A:
13.64
5oy07-3hr8A:
7.87
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01593
(Amino_oxidase) 		5 ARG A 274
ALA A 268
LEU A 269
ILE A 422
LEU A  20
 None
 1.11A 5oy01-3k7tA:
undetectable
5oy07-3k7tA:
undetectable		 5oy01-3k7tA:
11.19
5oy07-3k7tA:
7.06
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 436
PHE A 437
SER A 439
ALA A 404
ILE A 360
 None
 1.10A 5oy01-3mosA:
undetectable
5oy07-3mosA:
undetectable		 5oy01-3mosA:
8.53
5oy07-3mosA:
6.00
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 PHE A  14
ALA A  21
LEU A  18
GLY A  15
LEU A 158
 None
 1.12A 5oy01-3ndaA:
undetectable
5oy07-3ndaA:
undetectable		 5oy01-3ndaA:
12.96
5oy07-3ndaA:
8.17
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.06A 5oy01-3o5aA:
undetectable
5oy07-3o5aA:
undetectable		 5oy01-3o5aA:
7.31
5oy07-3o5aA:
4.83
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 PHE A  67
ARG A 128
ALA A 124
LEU A 127
LEU A  92
 None
 1.26A 5oy01-3pvcA:
undetectable
5oy07-3pvcA:
undetectable		 5oy01-3pvcA:
8.58
5oy07-3pvcA:
4.73
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.
3pzj PROBABLE
ACETYLTRANSFERASES

(Chromobacterium
violaceum) 		PF13302
(Acetyltransf_3) 		5 PHE A  75
ALA A  80
LEU A  79
GLY A  47
ILE A 119
 None
 1.18A 5oy01-3pzjA:
undetectable
5oy07-3pzjA:
undetectable		 5oy01-3pzjA:
16.92
5oy07-3pzjA:
10.66
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.
3q4a STIP1 HOMOLOGY AND U
BOX-CONTAINING
PROTEIN 1

(Mus musculus) 		PF12895
(ANAPC3) 		5 MET B 108
SER B 110
LEU B 101
GLY B 102
ILE B  54
 None
 1.16A 5oy01-3q4aB:
undetectable
5oy07-3q4aB:
undetectable		 5oy01-3q4aB:
21.05
5oy07-3q4aB:
14.29
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PHE C 911
ALA C1198
LEU C1264
GLY C 913
ILE C1274
 None
 1.23A 5oy01-3sr6C:
undetectable
5oy07-3sr6C:
undetectable		 5oy01-3sr6C:
7.99
5oy07-3sr6C:
4.51
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 PHE B1174
LEU B1182
GLY B1179
ILE B1241
LEU B1054
 None
 1.12A 5oy01-3zefB:
undetectable
5oy07-3zefB:
undetectable		 5oy01-3zefB:
4.56
5oy07-3zefB:
2.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 MET A 190
PHE A 193
ALA A 281
LEU A 280
LEU A 116
 None
 1.26A 5oy01-4df9A:
undetectable
5oy07-4df9A:
undetectable		 5oy01-4df9A:
13.86
5oy07-4df9A:
7.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae) 		PF01126
(Heme_oxygenase) 		5 SER A  66
ALA A  59
LEU A 125
GLY A 122
LEU A 169
 None
None
None
None
SO4  A 902 (-4.3A)
 1.26A 5oy01-4gpcA:
undetectable
5oy07-4gpcA:
undetectable		 5oy01-4gpcA:
15.81
5oy07-4gpcA:
11.65
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 PHE A 362
ALA A 365
LEU A 364
GLY A 344
LEU A  95
 None
 1.18A 5oy01-4grcA:
undetectable
5oy07-4grcA:
undetectable		 5oy01-4grcA:
11.22
5oy07-4grcA:
7.32
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 PHE A 112
SER A 110
GLY A 113
ILE A 551
LEU A 451
 None
 1.17A 5oy01-4hhrA:
undetectable
5oy07-4hhrA:
undetectable		 5oy01-4hhrA:
7.50
5oy07-4hhrA:
5.08
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ARG A  56
ALA A 411
LEU A 408
GLY A 374
LEU A 432
 None
FAD  A 601 (-4.6A)
None
None
None
 1.12A 5oy01-4jzyA:
undetectable
5oy07-4jzyA:
undetectable		 5oy01-4jzyA:
10.02
5oy07-4jzyA:
5.62
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		5 SER A  53
ALA A  78
LEU A  82
ILE A 189
LEU A 185
 None
 1.22A 5oy01-4kw7A:
undetectable
5oy07-4kw7A:
undetectable		 5oy01-4kw7A:
12.25
5oy07-4kw7A:
8.22
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 ARG B  67
ALA B  73
GLY B  70
ILE B 115
LEU B 311
 None
 1.25A 5oy01-4lrsB:
undetectable
5oy07-4lrsB:
undetectable		 5oy01-4lrsB:
13.22
5oy07-4lrsB:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ARG A 251
ALA A 246
LEU A 252
GLY A 224
LEU A 107
 None
 1.25A 5oy01-4lswA:
undetectable
5oy07-4lswA:
undetectable		 5oy01-4lswA:
16.26
5oy07-4lswA:
8.57
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.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A  96
ARG A  66
GLY A  70
ILE A 211
LEU A  28
 None
 1.27A 5oy01-4lutA:
undetectable
5oy07-4lutA:
undetectable		 5oy01-4lutA:
12.80
5oy07-4lutA:
7.08
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 448
LEU A 394
GLY A 393
ILE A 144
LEU A 149
 None
 1.21A 5oy01-4mz0A:
undetectable
5oy07-4mz0A:
undetectable		 5oy01-4mz0A:
6.60
5oy07-4mz0A:
3.89
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 MET A 380
ARG A  24
TRP A  23
GLY A 363
LEU A 245
 None
 1.21A 5oy01-4p6bA:
undetectable
5oy07-4p6bA:
undetectable		 5oy01-4p6bA:
12.40
5oy07-4p6bA:
7.73
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 ARG A 707
ALA A 586
LEU A 587
GLY A 590
LEU A 937
 None
 1.24A 5oy01-4q2cA:
undetectable
5oy07-4q2cA:
undetectable		 5oy01-4q2cA:
7.77
5oy07-4q2cA:
3.62
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.39A 5oy01-4rkuA:
44.6
5oy07-4rkuA:
undetectable		 5oy01-4rkuA:
7.20
5oy07-4rkuA:
6.88
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.45A 5oy01-4rkuB:
34.1
5oy07-4rkuB:
undetectable		 5oy01-4rkuB:
6.72
5oy07-4rkuB:
4.68
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 MET A 207
PHE A 206
GLY A 167
ILE A 261
LEU A 266
 None
 1.19A 5oy01-4yhsA:
undetectable
5oy07-4yhsA:
undetectable		 5oy01-4yhsA:
14.13
5oy07-4yhsA:
7.67
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 356
LEU A 352
GLY A 351
ILE A 103
LEU A  70
 None
 1.25A 5oy01-4zasA:
undetectable
5oy07-4zasA:
undetectable		 5oy01-4zasA:
11.83
5oy07-4zasA:
8.11
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 ALA A 469
LEU A 466
GLY A 462
ILE A 510
LEU A 514
 None
None
CO3  A 701 (-3.4A)
None
None
 1.11A 5oy01-5cbmA:
undetectable
5oy07-5cbmA:
undetectable		 5oy01-5cbmA:
10.61
5oy07-5cbmA:
6.15
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.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		5 ARG A 171
LEU A 170
GLY A 169
ILE A 205
LEU A 213
 None
 1.10A 5oy01-5cuoA:
undetectable
5oy07-5cuoA:
undetectable		 5oy01-5cuoA:
18.88
5oy07-5cuoA:
10.55
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA C 217
LEU C 197
GLY C 160
ILE C 266
LEU C 263
 None
KCX  C 220 ( 4.3A)
None
None
None
 1.15A 5oy01-5fseC:
undetectable
5oy07-5fseC:
undetectable		 5oy01-5fseC:
9.34
5oy07-5fseC:
5.09
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 SER C 109
LEU C 147
GLY C 105
ILE C  46
LEU C  72
 None
 0.92A 5oy01-5ip7C:
undetectable
5oy07-5ip7C:
undetectable		 5oy01-5ip7C:
15.95
5oy07-5ip7C:
9.20
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.
5mqx NON-STRUCTURAL
PROTEIN3

(Venezuelan
equine
encephalitis
virus) 		no annotation 5 ALA A  86
LEU A  85
GLY A  81
ILE A  11
LEU A  37
 None
None
None
APR  A 201 (-3.3A)
None
 1.25A 5oy01-5mqxA:
undetectable
5oy07-5mqxA:
undetectable		 5oy01-5mqxA:
18.09
5oy07-5mqxA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
PF03814
(KdpA) 		5 PHE A 270
ARG A 278
GLY A 280
ILE A 393
LEU B 224
 None
 1.12A 5oy01-5mrwA:
undetectable
5oy07-5mrwA:
undetectable		 5oy01-5mrwA:
9.66
5oy07-5mrwA:
5.08
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.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		5 ALA A  82
LEU A  86
GLY A  87
ILE A 258
LEU A 247
 None
 1.21A 5oy01-5ny5A:
undetectable
5oy07-5ny5A:
undetectable		 5oy01-5ny5A:
9.94
5oy07-5ny5A:
5.07
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.
5o60 50S RIBOSOMAL
PROTEIN L25

(Mycolicibacterium
smegmatis) 		PF01386
(Ribosomal_L25p)
PF14693
(Ribosomal_TL5_C) 		5 ARG W  59
ALA W  55
LEU W  58
GLY W  62
ILE W  71
 U  A1158 ( 4.5A)
None
None
None
None
 1.19A 5oy01-5o60W:
undetectable
5oy07-5o60W:
undetectable		 5oy01-5o60W:
18.65
5oy07-5o60W:
12.25
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.
5ocd -

(-) 		no annotation 5 PHE A 228
ALA A 225
LEU A 226
ILE A 111
LEU A  95
 None
 1.10A 5oy01-5ocdA:
undetectable
5oy07-5ocdA:
undetectable		 5oy01-5ocdA:
undetectable
5oy07-5ocdA:
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 ARG A 174
ALA A 170
GLY A 176
ILE A 123
LEU A 117
 None
 1.22A 5oy01-5ov6A:
undetectable
5oy07-5ov6A:
undetectable		 5oy01-5ov6A:
12.70
5oy07-5ov6A:
7.59
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 ALA A1284
LEU A1320
GLY A1321
ILE A1256
LEU A1305
 None
 1.17A 5oy01-5t8vA:
2.2
5oy07-5t8vA:
undetectable		 5oy01-5t8vA:
4.71
5oy07-5t8vA:
3.45
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 0.89A 5oy01-5v8kA:
26.4
5oy07-5v8kA:
undetectable		 5oy01-5v8kA:
8.97
5oy07-5v8kA:
10.92
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		5 PHE A1076
ARG A 486
ALA A 565
ILE A 585
LEU A 577
 None
 1.27A 5oy01-5w81A:
1.1
5oy07-5w81A:
undetectable		 5oy01-5w81A:
4.08
5oy07-5w81A:
3.09
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.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 MET A1133
ALA A1101
LEU A1103
ILE A1054
LEU A1039
 None
CIT  A1201 (-4.2A)
None
None
None
 1.08A 5oy01-5xnsA:
4.1
5oy07-5xnsA:
undetectable		 5oy01-5xnsA:
10.23
5oy07-5xnsA:
7.36
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 PHE F 117
LEU F 118
GLY F 116
ILE G  74
LEU H 194
 None
 1.09A 5oy01-6cfwF:
2.2
5oy07-6cfwF:
undetectable		 5oy01-6cfwF:
20.00
5oy07-6cfwF:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F

(Pyrococcus
furiosus) 		no annotation 5 SER H 174
ALA G  93
LEU G  90
GLY G  86
ILE B  75
 None
 1.24A 5oy01-6cfwH:
undetectable
5oy07-6cfwH:
undetectable		 5oy01-6cfwH:
16.09
5oy07-6cfwH:
18.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 7 MET A 681
PHE A 682
SER A 685
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.83A 5oy01-6fosA:
41.0
5oy07-6fosA:
1.6		 5oy01-6fosA:
73.75
5oy07-6fosA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
LEU J  18
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
None
 0.76A 5oy01-6fosA:
41.0
5oy07-6fosA:
1.6		 5oy01-6fosA:
73.75
5oy07-6fosA:
17.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.76A 5oy01-6fosB:
27.7
5oy07-6fosB:
undetectable		 5oy01-6fosB:
33.33
5oy07-6fosB:
14.81
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 272
ALA A 287
LEU A 286
GLY A 270
LEU A 341
 None
 1.27A 5oy01-6fu4A:
undetectable
5oy07-6fu4A:
undetectable		 5oy01-6fu4A:
20.51
5oy07-6fu4A:
22.37
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 272
ALA A 294
LEU A 286
GLY A 270
LEU A 341
 None
 1.17A 5oy01-6fu4A:
undetectable
5oy07-6fu4A:
undetectable		 5oy01-6fu4A:
20.51
5oy07-6fu4A:
22.37