SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q15_A_HFGA803_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
 1.29A 4q15A-1atiA:
26.3		 4q15A-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
 1.30A 4q15A-1azwA:
undetectable		 4q15A-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
 1.18A 4q15A-1cg4A:
undetectable		 4q15A-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
 1.26A 4q15A-1d2zB:
undetectable		 4q15A-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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 LEU A 324
GLU A 315
VAL A 317
ARG A 313
HIS A 213
 None
 1.11A 4q15A-1f6dA:
4.2		 4q15A-1f6dA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4q15A-1fiqA:
undetectable		 4q15A-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) 		9 LEU A  77
PRO A 110
THR A 111
ARG A 142
TRP A 158
HIS A 162
PHE A 205
SER A 258
GLY A 260
 None
 0.83A 4q15A-1hc7A:
46.0		 4q15A-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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 GLU A  70
THR A  77
HIS A 173
SER A 172
GLY A 168
 None
 0.95A 4q15A-1iirA:
4.5		 4q15A-1iirA:
19.51
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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 233
VAL A 235
PRO A 244
HIS A 248
GLY A  63
 None
 1.20A 4q15A-1jsdA:
undetectable		 4q15A-1jsdA:
20.20
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.
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
 1.38A 4q15A-1k3vA:
undetectable		 4q15A-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 4q15A-1lgyA:
undetectable		 4q15A-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
HIS A 170
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)
 0.94A 4q15A-1nj1A:
43.8		 4q15A-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
HIS A 170
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.05A 4q15A-1nj1A:
43.8		 4q15A-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
HIS A 170
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.60A 4q15A-1nj1A:
43.8		 4q15A-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
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.21A 4q15A-1nj1A:
43.8		 4q15A-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
ARG A 132
PHE A 196
 None
 1.32A 4q15A-1nj8A:
42.9		 4q15A-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
GLU A  80
VAL A  81
PRO A 100
PHE A 196
 None
 1.10A 4q15A-1nj8A:
42.9		 4q15A-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
HIS A 154
GLY A 251
 None
 0.46A 4q15A-1nj8A:
42.9		 4q15A-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
HIS A 154
PHE A 196
 None
 0.95A 4q15A-1nj8A:
42.9		 4q15A-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
HIS A 154
PHE A 227
 None
 1.18A 4q15A-1nj8A:
42.9		 4q15A-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.
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
 1.24A 4q15A-1r8wA:
undetectable		 4q15A-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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		5 VAL A 216
PRO A 184
THR A 183
HIS A 418
GLY A 482
 None
 1.23A 4q15A-1zy9A:
undetectable		 4q15A-1zy9A:
23.57
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.
2bdt BH3686

(Bacillus
halodurans) 		PF13238
(AAA_18) 		5 LEU A 115
GLU A 138
VAL A 136
PRO A  10
GLY A  34
 None
 1.14A 4q15A-2bdtA:
2.2		 4q15A-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.
2bkd FRAGILE X MENTAL
RETARDATION 1
PROTEIN

(Homo sapiens) 		PF05641
(Agenet) 		5 LEU N 112
GLU N  64
VAL N  84
PHE N  15
GLY N  13
 None
 1.23A 4q15A-2bkdN:
undetectable		 4q15A-2bkdN:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dm4 SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A  14
GLU A  46
VAL A  80
THR A  77
GLY A  51
 None
 1.22A 4q15A-2dm4A:
undetectable		 4q15A-2dm4A:
13.10
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.
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
 1.21A 4q15A-2exhA:
undetectable		 4q15A-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)
 1.11A 4q15A-2i4nA:
29.5		 4q15A-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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		5 LEU A 219
GLU A 264
VAL A 263
THR A 214
GLY A 296
 None
G4P  A1307 ( 3.7A)
None
None
None
 1.24A 4q15A-2j4rA:
undetectable		 4q15A-2j4rA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.14A 4q15A-2kltA:
undetectable		 4q15A-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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  21
PHE A  61
VAL A  33
THR A  28
GLY A 196
 None
 1.32A 4q15A-2q49A:
2.4		 4q15A-2q49A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 LEU A 242
VAL A 203
PRO A 188
SER A 358
GLY A  46
 None
None
CL  A1527 (-3.8A)
OXZ  A1518 ( 4.3A)
None
 1.36A 4q15A-2yjqA:
undetectable		 4q15A-2yjqA:
21.40
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.
2yr5 PRO-ENZYME OF
L-PHENYLALANINE
OXIDASE

(Pseudomonas sp.
P-501) 		no annotation 5 LEU A 286
PHE A 306
VAL A 208
THR A 202
TRP A 195
 None
 1.27A 4q15A-2yr5A:
undetectable		 4q15A-2yr5A:
19.76
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.
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
 1.10A 4q15A-2ywdA:
undetectable		 4q15A-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.
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
 1.33A 4q15A-3anyB:
6.1		 4q15A-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
 1.24A 4q15A-3c2uA:
undetectable		 4q15A-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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		5 GLU A 504
VAL A 505
ARG A 500
HIS A 383
PHE A 519
 None
 1.36A 4q15A-3d3lA:
undetectable		 4q15A-3d3lA:
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.
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
 1.26A 4q15A-3eagA:
2.6		 4q15A-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.
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
 1.10A 4q15A-3i04A:
4.3		 4q15A-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)
 1.05A 4q15A-3ialA:
43.2		 4q15A-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
HIS A 198
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 4q15A-3ialA:
43.2		 4q15A-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.
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
 1.30A 4q15A-3l6dA:
3.3		 4q15A-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
 1.21A 4q15A-3lk7A:
2.0		 4q15A-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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 LEU A 255
VAL A 261
HIS A 269
PHE A 119
GLY A 318
 None
 1.13A 4q15A-3mduA:
undetectable		 4q15A-3mduA:
17.89
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.
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
 1.16A 4q15A-3nrhA:
undetectable		 4q15A-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)
 1.28A 4q15A-3pr2B:
undetectable		 4q15A-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
 1.28A 4q15A-3qucA:
undetectable		 4q15A-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
 0.98A 4q15A-3rimA:
undetectable		 4q15A-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
 1.30A 4q15A-3t1bA:
2.4		 4q15A-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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 LEU A  27
VAL A  40
PRO A 115
THR A 114
GLY A 342
 None
 1.33A 4q15A-3td9A:
2.7		 4q15A-3td9A:
21.61
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.
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 4q15A-3wd7A:
undetectable		 4q15A-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.
4ast ALDO-KETO REDUCTASE
AKR14A1

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 LEU A 212
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
 1.30A 4q15A-4astA:
undetectable		 4q15A-4astA:
21.12
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.
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 4q15A-4c51A:
undetectable		 4q15A-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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.15A 4q15A-4f0lA:
undetectable		 4q15A-4f0lA:
19.56
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.
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
 1.28A 4q15A-4gczA:
undetectable		 4q15A-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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 LEU A 300
VAL A 249
THR A 252
SER A  90
GLY A 111
 None
None
None
None
MG  A 401 (-4.4A)
 1.36A 4q15A-4iikA:
undetectable		 4q15A-4iikA:
20.12
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.
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)
 1.22A 4q15A-4j75A:
undetectable		 4q15A-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.
4j7h EVAA 2,3-DEHYDRATASE

(Amycolatopsis
orientalis) 		PF03559
(Hexose_dehydrat) 		5 LEU A 385
VAL A 332
PRO A 370
HIS A 375
GLY A 300
 None
 1.33A 4q15A-4j7hA:
undetectable		 4q15A-4j7hA:
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU C 145
VAL C 108
THR C  99
HIS C  46
GLY C  65
 None
 1.32A 4q15A-4jhpC:
undetectable		 4q15A-4jhpC:
20.67
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.
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)
 1.15A 4q15A-4op4A:
undetectable		 4q15A-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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 135
PHE A 144
PRO A 244
ARG A 277
GLY A 406
 None
None
None
AMP  A 701 (-2.9A)
AMP  A 701 (-4.0A)
 1.10A 4q15A-4qeiA:
24.7		 4q15A-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.
4qid BACTERIORHODOPSIN-I

(Haloquadratum
walsbyi) 		PF01036
(Bac_rhodopsin) 		5 LEU A  78
GLU A  75
VAL A  76
THR A 201
GLY A 211
 None
None
ACT  A 302 ( 4.5A)
None
None
 1.33A 4q15A-4qidA:
undetectable		 4q15A-4qidA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 4q15A-4qn9A:
undetectable		 4q15A-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.
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
 1.08A 4q15A-4tqoB:
undetectable		 4q15A-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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 PHE B 376
VAL B 388
THR B 364
SER B 341
GLY B 339
 None
 1.37A 4q15A-4tqoB:
undetectable		 4q15A-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
 1.35A 4q15A-4wd1A:
3.0		 4q15A-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) 		6 GLU A 392
THR A 359
ARG A 390
HIS A 411
SER A 508
GLY A 510
 ANP  A 801 (-3.6A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 (-4.5A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.34A 4q15A-4ydqA:
52.1		 4q15A-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
HIS A 411
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 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.56A 4q15A-4ydqA:
52.1		 4q15A-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
 1.38A 4q15A-4ymxA:
2.9		 4q15A-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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 LEU A 102
GLU A  96
PRO A  16
THR A  17
ARG A  38
 None
 1.35A 4q15A-4zlgA:
undetectable		 4q15A-4zlgA:
19.19
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.
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
 1.24A 4q15A-5c6gB:
undetectable		 4q15A-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
 1.13A 4q15A-5cioA:
undetectable		 4q15A-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
 1.08A 4q15A-5czwA:
undetectable		 4q15A-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
 1.34A 4q15A-5dxlA:
4.6		 4q15A-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.
5e7q ACYL-COA SYNTHETASE

(Streptomyces
platensis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 401
GLU A 351
VAL A 344
THR A 341
ARG A 343
 None
 1.36A 4q15A-5e7qA:
undetectable		 4q15A-5e7qA:
18.54
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.
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
 1.13A 4q15A-5gkqA:
undetectable		 4q15A-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 4q15A-5h05A:
undetectable		 4q15A-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
 1.21A 4q15A-5h1kA:
undetectable		 4q15A-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.
5it6 GALECTIN-RELATED
PROTEIN

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		5 LEU A  51
PHE A 102
GLU A  91
VAL A  90
HIS A 113
 None
EDO  A 207 ( 3.8A)
EDO  A 207 ( 3.3A)
None
None
 1.21A 4q15A-5it6A:
undetectable		 4q15A-5it6A:
13.62
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.
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)
 1.29A 4q15A-5kzmB:
2.3		 4q15A-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.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 LEU A 146
VAL A 182
PRO A 124
TRP A 119
GLY A 111
 None
None
None
None
CLR  A1203 (-4.0A)
 1.31A 4q15A-5l7dA:
undetectable		 4q15A-5l7dA:
21.50
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Bos taurus;
Bos taurus) 		PF00346
(Complex1_49kDa)
PF00146
(NADHdh) 		5 LEU D 229
VAL D 154
PRO D 166
THR D 165
GLY H  29
 None
 1.35A 4q15A-5lc5D:
undetectable		 4q15A-5lc5D:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 4q15A-5o5jH:
undetectable		 4q15A-5o5jH:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t79 ALDO-KETO REDUCTASE,
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00248
(Aldo_ket_red) 		5 LEU A 211
PRO A 194
HIS A  59
SER A  29
GLY A  31
 None
None
None
None
NDP  A 404 (-3.0A)
 1.34A 4q15A-5t79A:
undetectable		 4q15A-5t79A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uco 2,4,6-TRIHYDROXYBENZ
OPHENONE SYNTHASE

(Hypericum
androsaemum) 		no annotation 5 PHE A  42
GLU A  77
THR A  47
PHE A 201
GLY A  85
 None
 1.38A 4q15A-5ucoA:
undetectable		 4q15A-5ucoA:
undetectable
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) 		10 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
HIS A1173
SER A1272
GLY A1274
 None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.78A 4q15A-5vadA:
48.5		 4q15A-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
GLU A1100
VAL A1101
PRO A1120
TRP A1169
HIS A1173
PHE A1216
SER A1272
GLY A1274
 None
None
None
None
None
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.95A 4q15A-5vadA:
48.5		 4q15A-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.
5vfd BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 LEU A 168
VAL A 130
THR A  82
SER A 247
GLY A 234
 9CP  A 306 ( 4.6A)
KCX  A  84 (-3.8A)
None
None
None
 1.06A 4q15A-5vfdA:
undetectable		 4q15A-5vfdA:
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.
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
 1.33A 4q15A-5x1eC:
undetectable		 4q15A-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
HIS A 491
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 1.33A 4q15A-5xiiA:
50.4		 4q15A-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
HIS A 491
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
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.27A 4q15A-5xiiA:
50.4		 4q15A-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
HIS A 411
PHE A 454
SER A 510
GLY A 512
 None
 0.33A 4q15A-5xilA:
48.4		 4q15A-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
HIS A 383
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.45A 4q15A-5xioA:
49.3		 4q15A-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 9 LEU A 297
PHE A 307
GLU A 310
VAL A 311
THR A 331
ARG A 362
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.60A 4q15A-5xioA:
49.3		 4q15A-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 11 LEU A 297
PHE A 307
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
HIS A 383
PHE A 426
SER A 480
GLY A 482
 None
HFG  A 801 (-3.7A)
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.38A 4q15A-5xioA:
49.3		 4q15A-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
HIS A 411
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 1.28A 4q15A-5xipA:
53.1		 4q15A-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
HIS A 411
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 ( 4.7A)
HFG  A1003 (-3.4A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.51A 4q15A-5xipA:
53.1		 4q15A-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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 LEU A 385
PHE A 355
GLU A 452
VAL A 450
THR A 457
 None
 1.31A 4q15A-5yj6A:
undetectable		 4q15A-5yj6A:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 5 LEU A 165
VAL A 434
THR A 251
HIS A 247
GLY A 245
 None
 1.25A 4q15A-5yl7A:
2.0		 4q15A-5yl7A:
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.
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 4q15A-6ercA:
undetectable		 4q15A-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
 1.34A 4q15A-6gc6C:
undetectable		 4q15A-6gc6C:
undetectable