SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q15_B_HFGB803_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A  74
PRO A 187
ARG A 220
SER A 361
GLY A 363
 None
 1.32A 4q15B-1atiA:
26.5		 4q15B-1atiA:
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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 LEU A   4
VAL A 302
ARG A 133
PHE A 213
GLY A  43
 None
 1.31A 4q15B-1azwA:
undetectable		 4q15B-1azwA:
19.09
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 GLU A 369
VAL A 368
PRO A 279
THR A 280
GLY A 287
 None
 1.21A 4q15B-1cg4A:
undetectable		 4q15B-1cg4A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2z DEATH DOMAIN OF TUBE

(Drosophila
melanogaster) 		PF14786
(Death_2) 		5 LEU B 133
VAL B 137
PRO B 158
THR B 157
ARG B 160
 None
 1.31A 4q15B-1d2zB:
undetectable		 4q15B-1d2zB:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiq XANTHINE OXIDASE

(Bos taurus) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 LEU A 128
GLU A 103
VAL A 101
THR A 162
ARG A 104
 None
 1.29A 4q15B-1fiqA:
undetectable		 4q15B-1fiqA:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLU A 144
TRP A 158
GLU A 160
SER A 258
GLY A 260
 None
 1.10A 4q15B-1hc7A:
45.9		 4q15B-1hc7A:
42.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 LEU A  77
PRO A 110
THR A 111
ARG A 142
TRP A 158
GLU A 160
PHE A 205
SER A 258
GLY A 260
 None
 0.89A 4q15B-1hc7A:
45.9		 4q15B-1hc7A:
42.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A  91
GLU A 144
TRP A 158
GLU A 160
GLY A 260
 None
 1.10A 4q15B-1hc7A:
45.9		 4q15B-1hc7A:
42.50
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.
1k3v CAPSID PROTEIN VP2

(Ungulate
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 LEU A 274
PRO A 483
THR A 456
PHE A 396
GLY A 371
 None
 1.32A 4q15B-1k3vA:
undetectable		 4q15B-1k3vA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 LEU A 152
GLU A 190
VAL A 189
PRO A 219
SER A 245
 None
 1.24A 4q15B-1lgyA:
undetectable		 4q15B-1lgyA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.92A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A  83
GLU A  96
GLU A 168
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.05A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.59A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.23A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 LEU A  67
GLU A  80
VAL A  81
PRO A 100
PHE A 196
 None
 1.10A 4q15B-1nj8A:
43.2		 4q15B-1nj8A:
35.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		6 LEU A  67
VAL A  81
PRO A 100
THR A 101
GLU A 152
GLY A 251
 None
 0.42A 4q15B-1nj8A:
43.2		 4q15B-1nj8A:
35.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 LEU A  67
VAL A  81
PRO A 100
THR A 101
PHE A 196
 None
 1.02A 4q15B-1nj8A:
43.2		 4q15B-1nj8A:
35.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj8 PROLINE-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2) 		5 VAL A  81
PRO A 100
THR A 101
GLU A 152
PHE A 227
 None
 1.17A 4q15B-1nj8A:
43.2		 4q15B-1nj8A:
35.17
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 177
GLU A 103
THR A 257
ARG A 222
GLY A 298
 None
FMN  A1730 (-2.7A)
None
FMN  A1730 (-2.8A)
FMN  A1730 ( 4.2A)
 1.23A 4q15B-1o94A:
4.1		 4q15B-1o94A:
21.20
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 578
VAL A 563
PRO A 656
THR A 655
GLY A 649
 None
 1.23A 4q15B-1r8wA:
undetectable		 4q15B-1r8wA:
22.59
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.
1t5c CENTROMERIC PROTEIN
E

(Homo sapiens) 		PF00225
(Kinesin) 		5 LEU A  16
VAL A  29
PRO A 310
THR A 309
GLY A  86
 None
 1.34A 4q15B-1t5cA:
undetectable		 4q15B-1t5cA:
19.34
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.
2bdt BH3686

(Bacillus
halodurans) 		PF13238
(AAA_18) 		5 LEU A 115
GLU A 138
VAL A 136
PRO A  10
GLY A  34
 None
 1.11A 4q15B-2bdtA:
2.3		 4q15B-2bdtA:
17.00
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 GLU A 264
ARG A 262
GLU A 233
SER A 354
GLY A 384
 SSA  A1001 (-3.3A)
SSA  A1001 (-2.8A)
SSA  A1001 (-3.7A)
None
SSA  A1001 (-3.7A)
 1.02A 4q15B-2dq3A:
22.8		 4q15B-2dq3A:
22.43
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		5 LEU A 191
VAL A 142
PRO A 189
THR A 202
GLY A 205
 None
 1.25A 4q15B-2exhA:
undetectable		 4q15B-2exhA:
21.19
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		7 LEU A 105
GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.13A 4q15B-2i4nA:
29.6		 4q15B-2i4nA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2klt SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		5 LEU A 560
GLU A 508
VAL A 525
THR A 572
GLY A 519
 None
 1.13A 4q15B-2kltA:
undetectable		 4q15B-2kltA:
16.70
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.
2mcm MACROMOMYCIN

(Streptomyces
macromomyceticus) 		PF00960
(Neocarzinostat) 		5 PRO A  27
THR A  26
GLU A 103
SER A 101
GLY A  98
 None
None
None
None
MRD  A 113 ( 4.3A)
 1.28A 4q15B-2mcmA:
undetectable		 4q15B-2mcmA:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poz PUTATIVE DEHYDRATASE

(Mesorhizobium
japonicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 156
VAL A 145
PRO A 148
ARG A 147
PHE A 337
 None
 1.35A 4q15B-2pozA:
undetectable		 4q15B-2pozA:
21.98
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 197
VAL A 104
GLU A 240
SER A 239
GLY A 243
 None
 1.30A 4q15B-2waeA:
undetectable		 4q15B-2waeA:
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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		5 LEU A 103
GLU A 149
VAL A 161
ARG A 162
GLY A 190
 None
 1.12A 4q15B-2ywdA:
2.4		 4q15B-2ywdA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 VAL A 133
PRO A 101
THR A 102
GLU A 116
GLY A 114
 None
 1.32A 4q15B-3abzA:
undetectable		 4q15B-3abzA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF06751
(EutB)
PF05985
(EutC) 		5 LEU B  70
VAL B  78
PRO A 449
PHE A 216
GLY A 435
 None
 1.32A 4q15B-3anyB:
5.3		 4q15B-3anyB:
20.78
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		5 LEU A 190
VAL A 141
PRO A 188
THR A 201
GLY A 204
 None
 1.28A 4q15B-3c2uA:
undetectable		 4q15B-3c2uA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 LEU A 265
VAL A 310
PRO A 260
THR A 237
GLU A 214
 None
 1.17A 4q15B-3dc8A:
undetectable		 4q15B-3dc8A:
19.49
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 LEU A 315
VAL A 126
THR A 119
PHE A 252
GLY A 112
 None
 1.25A 4q15B-3eagA:
2.9		 4q15B-3eagA:
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.
3g3l PUTATIVE
UNCHARACTERIZED
MEMBRANE-ASSOCIATED
PROTEIN

(Bacteroides
fragilis) 		PF12985
(DUF3869) 		5 VAL A 203
PRO A 201
THR A 200
GLU A 198
GLY A 197
 None
 1.31A 4q15B-3g3lA:
undetectable		 4q15B-3g3lA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLU A 611
VAL A 610
PRO A 608
SER A 480
GLY A 475
 None
 1.11A 4q15B-3i04A:
4.9		 4q15B-3i04A:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 LEU A 112
GLU A 125
PRO A 145
ARG A 177
GLY A 264
 None
None
None
PR8  A 601 ( 4.3A)
PR8  A 601 (-3.5A)
 1.09A 4q15B-3ialA:
43.1		 4q15B-3ialA:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 LEU A 112
GLU A 125
PRO A 145
THR A 146
ARG A 177
TRP A 194
GLU A 196
GLY A 296
 None
None
None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 (-3.4A)
 0.47A 4q15B-3ialA:
43.1		 4q15B-3ialA:
33.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 496
GLU A 510
VAL A 511
GLU A 517
GLY A 521
 None
 1.25A 4q15B-3ib3A:
undetectable		 4q15B-3ib3A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifw UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L1

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 LEU A 219
VAL A  99
GLU A 190
SER A 188
GLY A 170
 None
 1.28A 4q15B-3ifwA:
undetectable		 4q15B-3ifwA:
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.
3kio RIBONUCLEASE H2
SUBUNIT A
RIBONUCLEASE H2
SUBUNIT C

(Mus musculus;
Mus musculus) 		PF01351
(RNase_HII)
PF08615
(RNase_H2_suC) 		5 LEU A 221
PHE A 237
VAL A  41
GLU A 198
PHE C  47
 None
 1.18A 4q15B-3kioA:
undetectable		 4q15B-3kioA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 LEU A 156
PHE A   8
VAL A  12
THR A  96
GLY A 119
 None
 1.35A 4q15B-3l6dA:
3.4		 4q15B-3l6dA:
19.11
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 304
VAL A 133
THR A 126
PHE A 243
GLY A 119
 None
 1.19A 4q15B-3lk7A:
3.0		 4q15B-3lk7A:
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.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 LEU A  87
VAL A 167
THR A 160
PHE A  23
GLY A 154
 None
 1.13A 4q15B-3nrhA:
undetectable		 4q15B-3nrhA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU B  25
VAL B  17
PRO B 194
PHE B   9
GLY B 234
 None
None
None
None
7MN  B   2 (-3.4A)
 1.27A 4q15B-3pr2B:
undetectable		 4q15B-3pr2B:
22.14
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.
3quc INORGANIC
PYROPHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 LEU A 195
VAL A 199
PRO A 174
SER A  53
GLY A 146
 None
 1.26A 4q15B-3qucA:
undetectable		 4q15B-3qucA:
19.09
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 558
VAL A 600
PHE A 680
SER A 493
GLY A 649
 None
 0.95A 4q15B-3rimA:
3.5		 4q15B-3rimA:
18.35
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.
3t1b TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Vibrio cholerae) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 LEU A 101
VAL A 160
PRO A 237
PHE A 244
SER A 228
 None
 1.33A 4q15B-3t1bA:
undetectable		 4q15B-3t1bA:
18.09
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 202
GLU A 213
THR A 253
GLU A 282
GLY A 506
 None
 1.19A 4q15B-3vnsA:
undetectable		 4q15B-3vnsA:
22.80
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
 PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
 1.32A 4q15B-3wd7A:
undetectable		 4q15B-3wd7A:
22.29
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.
3wtd UNCHARACTERIZED
PROTEIN C9ORF142

(Homo sapiens) 		PF15384
(PAXX) 		5 LEU A  98
GLU A  81
THR A  73
ARG A  77
GLU A  27
 None
 1.29A 4q15B-3wtdA:
undetectable		 4q15B-3wtdA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4beq ALANINE RACEMASE 2

(Vibrio cholerae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 117
GLU A 110
VAL A 108
ARG A 106
GLU A 127
 None
 1.27A 4q15B-4beqA:
undetectable		 4q15B-4beqA:
21.55
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 VAL A 320
PRO A 325
THR A 326
SER A 175
GLY A 177
 None
 1.25A 4q15B-4c51A:
undetectable		 4q15B-4c51A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 LEU A 181
GLU A 402
VAL A 399
PRO A 191
THR A 192
 None
 1.35A 4q15B-4efcA:
undetectable		 4q15B-4efcA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcz BLUE-LIGHT
PHOTORECEPTOR,
SENSOR PROTEIN FIXL

(Bacillus
subtilis;
Bradyrhizobium
diazoefficiens) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF13426
(PAS_9) 		5 LEU A 276
GLU A 305
THR A 364
ARG A 366
SER A 360
 None
 1.32A 4q15B-4gczA:
undetectable		 4q15B-4gczA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B  76
PHE B  85
PRO B 128
ARG B 159
GLU B 176
 None
None
None
G5A  B 402 (-2.8A)
ZN  B 401 ( 2.3A)
 0.85A 4q15B-4h2xB:
21.1		 4q15B-4h2xB:
19.73
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 LEU A 330
VAL A 478
PRO A 451
THR A 307
GLY A 310
 None
None
None
TYM  A 701 (-4.6A)
TYM  A 701 (-3.4A)
 1.25A 4q15B-4j75A:
undetectable		 4q15B-4j75A:
21.55
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 LEU A 122
GLU A 133
THR A 139
PHE A 219
GLY A 177
 None
 1.35A 4q15B-4mfzA:
undetectable		 4q15B-4mfzA:
20.54
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		5 LEU A 250
GLU A 243
VAL A 245
PRO A 233
GLY A 214
 None
None
None
None
BU1  A 307 (-4.1A)
 1.21A 4q15B-4op4A:
undetectable		 4q15B-4op4A:
19.44
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.
4peq RIBONUCLEASE/ANGIOGE
NIN INHIBITOR 1

(Bos taurus) 		PF13516
(LRR_6) 		5 LEU B 414
GLU B 446
VAL B 445
ARG B 443
GLU B 436
 None
 1.28A 4q15B-4peqB:
undetectable		 4q15B-4peqB:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 5 LEU A 419
GLU A 315
VAL A 275
THR A 272
ARG A 274
 None
None
None
GOL  A 603 (-4.2A)
GOL  A 603 (-4.2A)
 1.23A 4q15B-4po6A:
undetectable		 4q15B-4po6A:
20.29
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PRO A 244
ARG A 277
GLU A 296
GLY A 406
 None
None
AMP  A 701 (-2.9A)
None
AMP  A 701 (-4.0A)
 1.01A 4q15B-4qeiA:
24.7		 4q15B-4qeiA:
22.51
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 VAL A 272
THR A 249
TRP A 233
PHE A 291
GLY A  60
 None
 1.34A 4q15B-4qn9A:
undetectable		 4q15B-4qn9A:
21.19
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 323
PHE A 402
GLU A 335
PRO A 292
GLY A 357
 None
 1.36A 4q15B-4s38A:
3.3		 4q15B-4s38A:
21.37
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 LEU B 390
PHE B 376
THR B 364
SER B 341
GLY B 339
 None
 1.14A 4q15B-4tqoB:
undetectable		 4q15B-4tqoB:
21.20
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.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 LEU A 647
GLU A 620
VAL A 623
PRO A 622
THR A 275
 None
 1.34A 4q15B-4wd1A:
3.8		 4q15B-4wd1A:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 GLU A 392
THR A 359
ARG A 390
GLU A 409
PHE A 454
SER A 508
GLY A 510
 ANP  A 801 (-3.6A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.32A 4q15B-4ydqA:
52.8		 4q15B-4ydqA:
97.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
PHE A 454
SER A 508
GLY A 510
 None
HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 ( 4.9A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.53A 4q15B-4ydqA:
52.8		 4q15B-4ydqA:
97.63
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.
4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00497
(SBP_bac_3) 		5 LEU A 122
PRO A 109
THR A 108
SER A 157
GLY A 154
 None
None
ARG  A 301 (-4.1A)
ARG  A 301 ( 4.7A)
None
 1.36A 4q15B-4ymxA:
undetectable		 4q15B-4ymxA:
21.71
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii;
Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		5 LEU B  33
PHE A 397
VAL A 340
SER A 452
GLY A 461
 None
 1.30A 4q15B-5c6gB:
undetectable		 4q15B-5c6gB:
19.68
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 562
VAL A 612
PRO A 628
PHE A 669
GLY A 636
 None
 1.08A 4q15B-5cioA:
undetectable		 4q15B-5cioA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PRO A  92
PHE A 144
SER A 106
GLY A 109
 None
 1.12A 4q15B-5czwA:
undetectable		 4q15B-5czwA:
19.10
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.
5dxl TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Aspergillus
fumigatus) 		PF02358
(Trehalose_PPase) 		5 GLU A 171
VAL A 170
PRO A 183
SER A  84
GLY A  65
 None
 1.35A 4q15B-5dxlA:
4.5		 4q15B-5dxlA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 328
 None
None
IF6  A1476 (-2.9A)
None
None
 1.24A 4q15B-5g0qA:
undetectable		 4q15B-5g0qA:
20.62
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 176
GLU A 245
GLU A  45
SER A  43
GLY A 329
 None
None
IF6  A1476 (-2.9A)
None
None
 1.36A 4q15B-5g0qA:
undetectable		 4q15B-5g0qA:
20.62
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 VAL A 431
PRO A 429
TRP A 427
PHE A  60
GLY A  78
 None
 1.12A 4q15B-5gkqA:
undetectable		 4q15B-5gkqA:
22.07
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 VAL A 126
PRO A  67
THR A  66
SER A  22
GLY A  43
 None
 1.35A 4q15B-5h05A:
undetectable		 4q15B-5h05A:
21.08
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU A 375
PHE A  37
VAL A  39
THR A   7
SER A 700
 None
 1.23A 4q15B-5h1kA:
undetectable		 4q15B-5h1kA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLU A 312
VAL A 311
THR A 304
GLU A 449
SER A 425
 None
 1.20A 4q15B-5kl0A:
4.7		 4q15B-5kl0A:
23.05
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.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		5 LEU B  24
VAL B  16
PRO B 193
PHE B   8
GLY B 233
 None
None
None
None
LLP  B  86 ( 3.1A)
 1.28A 4q15B-5kzmB:
2.2		 4q15B-5kzmB:
21.44
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.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Escherichia
coli) 		PF01977
(UbiD) 		5 LEU A  22
PHE A  67
GLU A 328
GLU A 270
SER A 268
 None
 1.33A 4q15B-5m1bA:
undetectable		 4q15B-5m1bA:
21.36
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		5 LEU A  55
GLU A  42
PRO A  79
THR A  78
GLU A 122
 None
None
None
SR  A 401 (-3.4A)
None
 1.36A 4q15B-5m8hA:
16.6		 4q15B-5m8hA:
21.39
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.
5o5j 30S RIBOSOMAL
PROTEIN S5
30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis;
Mycolicibacterium
smegmatis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
PF00410
(Ribosomal_S8) 		5 LEU H 101
GLU E 176
VAL E 178
ARG E 174
GLY E  69
 None
 1.04A 4q15B-5o5jH:
undetectable		 4q15B-5o5jH:
13.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
GLY A1274
 None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.7A)
 0.74A 4q15B-5vadA:
48.5		 4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 LEU A1087
GLU A1100
VAL A1101
PRO A1120
TRP A1169
GLU A1171
PHE A1216
GLY A1274
 None
None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.7A)
 0.95A 4q15B-5vadA:
48.5		 4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		9 LEU A1087
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
SER A1272
GLY A1274
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.56A 4q15B-5vadA:
48.5		 4q15B-5vadA:
50.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 LEU A1087
VAL A1101
PRO A1120
TRP A1169
GLU A1171
PHE A1216
SER A1272
GLY A1274
 None
None
None
None
PRO  A1602 ( 4.7A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.76A 4q15B-5vadA:
48.5		 4q15B-5vadA:
50.87
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A 429
THR A 195
GLU A 169
SER A 148
GLY A 151
 None
 1.21A 4q15B-5w3fA:
undetectable		 4q15B-5w3fA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1e ICMS
ICMO (DOTL)

(Legionella
pneumophila;
Legionella
pneumophila) 		PF12608
(T4bSS_IcmS)
no annotation 		5 LEU C 733
VAL A  83
PRO A  81
THR A  80
ARG A  85
 None
 1.31A 4q15B-5x1eC:
undetectable		 4q15B-5x1eC:
13.50
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 7 GLU A 472
THR A 439
ARG A 470
TRP A 487
GLU A 489
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 1.31A 4q15B-5xiiA:
51.3		 4q15B-5xiiA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 12 LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
GLU A 489
PHE A 534
SER A 588
GLY A 590
 None
86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.24A 4q15B-5xiiA:
51.3		 4q15B-5xiiA:
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 5 TRP A 407
GLU A 409
PHE A 454
SER A 510
GLY A 512
 None
 0.40A 4q15B-5xilA:
45.4		 4q15B-5xilA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 6 GLU A 364
ARG A 362
TRP A 379
GLU A 381
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.35A 4q15B-5xioA:
48.8		 4q15B-5xioA:
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 12 LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
GLU A 381
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.54A 4q15B-5xioA:
48.8		 4q15B-5xioA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 7 GLU A 392
THR A 359
ARG A 390
TRP A 407
GLU A 409
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 1.26A 4q15B-5xipA:
50.1		 4q15B-5xipA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 12 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
PHE A 454
SER A 508
GLY A 510
 None
HFG  A1003 (-3.8A)
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.52A 4q15B-5xipA:
50.1		 4q15B-5xipA:
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.
5xxu RIBOSOMAL PROTEIN
US3
RIBOSOMAL PROTEIN
ES10

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
PF03501
(S10_plectin) 		5 PHE K  75
GLU D  70
ARG D  67
GLU D  33
GLY D  35
 None
 1.14A 4q15B-5xxuK:
undetectable		 4q15B-5xxuK:
13.83
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 LEU A 186
VAL A 209
PRO A 206
SER A 242
GLY A 360
 None
 1.32A 4q15B-6ercA:
undetectable		 4q15B-6ercA:
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.
6gc6 50S RIBOSOMAL
PROTEIN L2

(Escherichia
coli) 		no annotation 5 GLU C 144
VAL C 143
THR C 128
ARG C 188
GLY C  72
 None
 1.30A 4q15B-6gc6C:
undetectable		 4q15B-6gc6C:
undetectable