SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIP_A_HFGA1003_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.
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
 1.16A 5xipA-1cg4A:
undetectable		 5xipA-1cg4A:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 VAL A 368
PRO A 279
THR A 280
THR A 286
GLY A 287
 None
 1.29A 5xipA-1cg4A:
undetectable		 5xipA-1cg4A:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 5xipA-1d2zB:
undetectable		 5xipA-1d2zB:
15.69
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.
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
 1.15A 5xipA-1f6dA:
3.7		 5xipA-1f6dA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 5xipA-1fiqA:
undetectable		 5xipA-1fiqA:
19.32
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
HIS A 162
PHE A 205
THR A 228
SER A 258
GLY A 260
 None
 0.89A 5xipA-1hc7A:
46.6		 5xipA-1hc7A:
44.73
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.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 GLU A  70
THR A  77
HIS A 173
SER A 172
GLY A 167
 None
 1.13A 5xipA-1iirA:
3.5		 5xipA-1iirA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.00A 5xipA-1iirA:
3.5		 5xipA-1iirA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.23A 5xipA-1jsdA:
undetectable		 5xipA-1jsdA:
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.
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
 1.25A 5xipA-1lgyA:
undetectable		 5xipA-1lgyA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 138
PHE A 273
VAL A 126
THR A  42
GLY A  41
 None
FAD  A 459 ( 4.1A)
None
FAD  A 459 (-3.7A)
FAD  A 459 (-3.3A)
 1.17A 5xipA-1lvlA:
3.5		 5xipA-1lvlA:
22.46
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		5 LEU A  71
PHE A  33
VAL A  80
PHE A 277
THR A 227
 None
 1.22A 5xipA-1narA:
undetectable		 5xipA-1narA:
20.68
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
ARG A 148
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.14A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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) 		7 GLU A 150
PRO A 116
THR A 117
ARG A 148
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.02A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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) 		7 LEU A  83
GLU A  96
ARG A 148
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.93A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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 LEU A  83
GLU A  96
VAL A  97
PRO A 116
HIS A 170
THR A 218
 None
 1.28A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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) 		9 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.58A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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
 1.24A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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
GLY A 251
 None
 0.93A 5xipA-1nj8A:
42.0		 5xipA-1nj8A:
35.95
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
 1.06A 5xipA-1nj8A:
42.0		 5xipA-1nj8A:
35.95
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) 		7 LEU A  67
VAL A  81
PRO A 100
THR A 101
HIS A 154
PHE A 196
THR A 219
 None
 0.89A 5xipA-1nj8A:
42.0		 5xipA-1nj8A:
35.95
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) 		7 LEU A  67
VAL A  81
PRO A 100
THR A 101
HIS A 154
THR A 219
GLY A 251
 None
 0.44A 5xipA-1nj8A:
42.0		 5xipA-1nj8A:
35.95
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
 1.16A 5xipA-1nj8A:
42.0		 5xipA-1nj8A:
35.95
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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 PRO A 333
ARG A 365
HIS A 387
THR A 488
GLY A 519
 None
TSB  A1002 (-2.5A)
ZN  A1001 ( 3.3A)
TSB  A1002 ( 4.5A)
TSB  A1002 ( 4.5A)
 0.75A 5xipA-1nyqA:
27.4		 5xipA-1nyqA:
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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 LEU A   6
GLU A 306
VAL A 304
THR A  92
GLY A  93
 LEU  A   6 ( 0.6A)
GLU  A 306 ( 0.6A)
VAL  A 304 ( 0.6A)
THR  A  92 ( 0.8A)
GLY  A  93 ( 0.0A)
 1.22A 5xipA-1omoA:
undetectable		 5xipA-1omoA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		5 LEU A2097
VAL A2176
THR A2231
SER A2236
GLY A2234
 None
 0.96A 5xipA-1t77A:
undetectable		 5xipA-1t77A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		5 VAL A  39
THR A  79
PHE A 185
THR A  59
SER A  98
 None
 1.25A 5xipA-1tg5A:
undetectable		 5xipA-1tg5A:
22.34
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.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		5 LEU L   4
VAL L  29
THR H  33
SER H  35
GLY H  98
 None
 1.24A 5xipA-2b2xL:
undetectable		 5xipA-2b2xL:
17.67
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.
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
 1.17A 5xipA-2dm4A:
undetectable		 5xipA-2dm4A:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 5xipA-2exhA:
undetectable		 5xipA-2exhA:
22.87
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.
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)
 1.08A 5xipA-2i4nA:
28.2		 5xipA-2i4nA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iaf HYPOTHETICAL PROTEIN
SDHL

(Legionella
pneumophila) 		PF03315
(SDH_beta) 		5 LEU A  84
PHE A 117
VAL A  33
THR A  44
GLY A  45
 None
 1.25A 5xipA-2iafA:
undetectable		 5xipA-2iafA:
15.29
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.
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
 1.05A 5xipA-2kltA:
undetectable		 5xipA-2kltA:
15.68
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 296
PHE A 118
PHE A 480
SER A 213
GLY A 217
 None
 1.22A 5xipA-2pg6A:
undetectable		 5xipA-2pg6A:
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.
2rf4 DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4
DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N)
PF08203
(RNA_polI_A14) 		5 LEU A 133
PHE A 153
VAL A 245
PRO A 127
HIS B  30
 None
 1.17A 5xipA-2rf4A:
undetectable		 5xipA-2rf4A:
17.51
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		6 PHE A 124
VAL A 122
HIS A 163
PHE A  99
THR A 140
GLY A 142
 None
None
CRQ  A  66 ( 3.9A)
None
None
None
 1.24A 5xipA-2vadA:
undetectable		 5xipA-2vadA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5xipA-2ywdA:
undetectable		 5xipA-2ywdA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 LEU A  30
VAL A 108
PRO A  97
THR A  58
GLY A  59
 None
 1.23A 5xipA-3cdxA:
undetectable		 5xipA-3cdxA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 456
GLU A  50
THR A 568
SER A 566
GLY A 573
 None
 1.27A 5xipA-3cmmA:
2.4		 5xipA-3cmmA:
19.07
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.
3hdo HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Geobacter
metallireducens) 		PF00155
(Aminotran_1_2) 		5 LEU A 160
PHE A 320
PRO A 112
THR A 119
GLY A 118
 None
 1.04A 5xipA-3hdoA:
undetectable		 5xipA-3hdoA:
19.80
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.
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
 1.17A 5xipA-3i04A:
4.3		 5xipA-3i04A:
21.65
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) 		6 LEU A 112
GLU A 125
ARG A 177
HIS A 198
PHE A 241
GLY A 296
 None
None
PR8  A 601 ( 4.3A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 4.1A)
PR8  A 601 (-3.4A)
 0.94A 5xipA-3ialA:
42.8		 5xipA-3ialA:
32.58
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)
 1.08A 5xipA-3ialA:
42.8		 5xipA-3ialA:
32.58
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) 		7 LEU A 112
GLU A 125
PRO A 145
THR A 146
ARG A 177
HIS A 198
GLY A 296
 None
None
None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.55A 5xipA-3ialA:
42.8		 5xipA-3ialA:
32.58
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.15A 5xipA-3mduA:
undetectable		 5xipA-3mduA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 LEU A 293
VAL A 255
PHE A 331
THR A 377
GLY A  54
 None
 1.25A 5xipA-3mpgA:
undetectable		 5xipA-3mpgA:
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.
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
 1.15A 5xipA-3nrhA:
undetectable		 5xipA-3nrhA:
15.73
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.
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)
 1.26A 5xipA-3pr2B:
undetectable		 5xipA-3pr2B:
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 GLU A 228
VAL A 230
PHE A 147
SER A 136
GLY A  99
 None
 1.26A 5xipA-3ptkA:
undetectable		 5xipA-3ptkA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rc2 SUGAR
3-KETOREDUCTASE

(Actinomadura
kijaniata) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 199
PHE A 155
PHE A 259
THR A 160
GLY A 235
 None
 1.24A 5xipA-3rc2A:
2.8		 5xipA-3rc2A:
21.69
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 LEU A 538
VAL A 530
ARG A 527
THR A 693
GLY A 689
 None
 1.27A 5xipA-3slkA:
undetectable		 5xipA-3slkA:
19.60
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 456
GLU A 375
VAL A 376
THR A 382
ARG A 378
 None
 1.12A 5xipA-3viuA:
undetectable		 5xipA-3viuA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 525
VAL A 417
PRO A 481
THR A 499
GLY A 494
 None
 1.21A 5xipA-3vueA:
3.4		 5xipA-3vueA:
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.
3zhe PROTEIN SMG-7

(Caenorhabditis
elegans) 		PF10373
(EST1_DNA_bind) 		5 LEU B 230
GLU B 258
PRO B 262
THR B 188
GLY B 164
 None
 1.28A 5xipA-3zheB:
undetectable		 5xipA-3zheB:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 5xipA-4astA:
undetectable		 5xipA-4astA:
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 VAL A 320
PRO A 325
THR A 326
SER A 175
GLY A 177
 None
 1.20A 5xipA-4c51A:
undetectable		 5xipA-4c51A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		5 PHE A 196
VAL A 202
PRO A 186
HIS A 242
GLY A  94
 None
 1.18A 5xipA-4eb0A:
3.9		 5xipA-4eb0A:
20.35
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.
4ex6 ALNB

(Streptomyces
sp. CM020) 		PF13419
(HAD_2) 		5 VAL A 197
PRO A  24
THR A  23
HIS A  86
THR A 131
 None
 1.26A 5xipA-4ex6A:
undetectable		 5xipA-4ex6A:
18.00
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 PRO A 103
THR A 102
ARG A 197
THR A 245
GLY A 247
 None
HC4  A 401 (-3.7A)
HC4  A 401 (-2.9A)
None
HC4  A 401 (-3.4A)
 1.08A 5xipA-4eyoA:
3.6		 5xipA-4eyoA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.17A 5xipA-4f0lA:
undetectable		 5xipA-4f0lA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 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
GLY B 283
 None
None
None
G5A  B 402 (-2.8A)
CL  B 403 ( 3.2A)
 1.07A 5xipA-4h2xB:
18.5		 5xipA-4h2xB:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.26A 5xipA-4j75A:
undetectable		 5xipA-4j75A:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 LEU A 428
THR A 431
PHE A 455
SER A 447
GLY A 476
 None
 1.18A 5xipA-4lgnA:
undetectable		 5xipA-4lgnA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 LEU A 428
VAL A  20
THR A 431
PHE A 455
SER A 447
 None
 1.13A 5xipA-4lgnA:
undetectable		 5xipA-4lgnA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mk3 GLUTATHIONE
S-TRANSFERASE

(Cupriavidus
metallidurans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLU A  21
VAL A  18
PHE A 186
THR A 146
GLY A 150
 None
 1.11A 5xipA-4mk3A:
undetectable		 5xipA-4mk3A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 284
VAL A 294
PRO A 464
THR A 437
GLY A 439
 None
 1.04A 5xipA-4mz0A:
undetectable		 5xipA-4mz0A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv4 SIGNAL PEPTIDASE I

(Bacillus
anthracis) 		PF00717
(Peptidase_S24) 		5 LEU A 110
HIS A 157
PHE A 126
THR A 132
GLY A 159
 None
PG4  A 201 (-3.9A)
None
None
None
 1.27A 5xipA-4nv4A:
undetectable		 5xipA-4nv4A:
17.08
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.
4op4 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Vibrio cholerae) 		PF01546
(Peptidase_M20) 		6 LEU A 250
GLU A 243
VAL A 245
PRO A 233
THR A 215
GLY A 214
 None
None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.21A 5xipA-4op4A:
undetectable		 5xipA-4op4A:
20.16
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
HIS A 411
THR A 478
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 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 1.32A 5xipA-4ydqA:
51.8		 5xipA-4ydqA:
63.86
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) 		11 LEU A 325
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510
 None
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)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.32A 5xipA-4ydqA:
51.8		 5xipA-4ydqA:
63.86
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) 		11 LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
HIS A 411
THR A 478
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)
HFG  A 802 (-4.5A)
HFG  A 802 ( 4.0A)
HFG  A 802 ( 3.8A)
HFG  A 802 (-3.7A)
 0.57A 5xipA-4ydqA:
51.8		 5xipA-4ydqA:
63.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		5 LEU A 444
PHE A 463
VAL A 461
THR A 305
GLY A 307
 None
 1.11A 5xipA-5ao5A:
undetectable		 5xipA-5ao5A:
20.68
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
 1.20A 5xipA-5cioA:
undetectable		 5xipA-5cioA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 LEU A   7
PRO A  92
PHE A 144
SER A 106
GLY A 109
 None
 1.07A 5xipA-5czwA:
undetectable		 5xipA-5czwA:
17.44
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.
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
 1.24A 5xipA-5h1kA:
undetectable		 5xipA-5h1kA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jos CYCLOHEXADIENYL
DEHYDRATASE

(synthetic
construct) 		PF00497
(SBP_bac_3) 		5 GLU A  95
THR A  91
ARG A  96
THR A  30
GLY A  88
 None
 1.20A 5xipA-5josA:
2.3		 5xipA-5josA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.27A 5xipA-5kzmB:
undetectable		 5xipA-5kzmB:
23.28
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.
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
 1.27A 5xipA-5lc5D:
undetectable		 5xipA-5lc5D:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF03814
(KdpA)
PF02669
(KdpC) 		5 LEU C  42
HIS A 242
THR A 122
SER C  82
GLY A 120
 None
 1.22A 5xipA-5mrwC:
undetectable		 5xipA-5mrwC:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.03A 5xipA-5o5jH:
2.6		 5xipA-5o5jH:
13.85
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) 		5 GLU A1154
PHE A1216
THR A1240
SER A1272
GLY A1274
 91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.71A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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
PRO A1120
THR A1121
ARG A1152
HIS A1173
THR A1240
SER A1272
GLY A1274
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.74A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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) 		6 LEU A1087
GLU A1100
VAL A1101
PRO A1120
HIS A1173
THR A1222
 None
None
None
None
PRO  A1602 ( 4.5A)
None
 1.48A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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
HIS A1173
THR A1240
GLY A1274
 None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.71A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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
PRO A1120
THR A1121
HIS A1173
PHE A1216
THR A1240
SER A1272
GLY A1274
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.3A)
PRO  A1602 (-3.7A)
 0.72A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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) 		5 VAL A1101
PRO A1120
THR A1121
HIS A1173
PHE A1248
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.5A)
None
 1.25A 5xipA-5vadA:
49.0		 5xipA-5vadA:
55.94
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 7 GLU A 472
THR A 439
ARG A 470
HIS A 491
THR A 558
SER A 588
GLY A 590
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 1.38A 5xipA-5xiiA:
53.0		 5xipA-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
HIS A 491
PHE A 534
THR A 558
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)
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.6A)
86X  A1004 ( 4.2A)
 0.56A 5xipA-5xiiA:
53.0		 5xipA-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 HIS A 411
PHE A 454
THR A 478
SER A 510
GLY A 512
 None
 0.40A 5xipA-5xilA:
49.8		 5xipA-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
HIS A 383
THR A 450
SER A 480
GLY A 482
 ANP  A 803 (-3.7A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 1.49A 5xipA-5xioA:
50.3		 5xipA-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
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482
 None
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.57A 5xipA-5xioA:
50.3		 5xipA-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
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
HIS A 383
THR A 450
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)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.9A)
 0.80A 5xipA-5xioA:
50.3		 5xipA-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
HIS A 411
THR A 478
SER A 508
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 1.24A 5xipA-5xipA:
62.1		 5xipA-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
HIS A 411
PHE A 454
THR A 478
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 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
HFG  A1003 ( 3.9A)
 0.00A 5xipA-5xipA:
62.1		 5xipA-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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 5 LEU A 667
PHE A 748
VAL A 638
THR A 641
GLY A 470
 None
 1.28A 5xipA-5yudA:
undetectable		 5xipA-5yudA:
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 5 LEU A 667
VAL A 638
THR A 641
THR A 583
GLY A 470
 None
 0.93A 5xipA-5yudA:
undetectable		 5xipA-5yudA:
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.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 LEU A 823
GLU A 864
PHE A 811
THR A 797
GLY A 845
 None
 1.29A 5xipA-6bf6A:
undetectable		 5xipA-6bf6A:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LEU A 142
PHE A 278
VAL A 126
THR A  42
GLY A  41
 None
FAD  A 502 (-4.2A)
None
FAD  A 502 (-3.5A)
FAD  A 502 (-3.2A)
 1.28A 5xipA-6cmzA:
3.2		 5xipA-6cmzA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLU A 388
VAL A 503
THR A 409
SER A 412
GLY A 458
 None
 1.19A 5xipA-6eonA:
undetectable		 5xipA-6eonA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gnf -

(-) 		no annotation 5 VAL A  79
THR A  24
HIS A 181
THR A  17
GLY A  18
 None
None
QPS  A 602 (-4.1A)
QPS  A 602 (-3.2A)
ADP  A 601 ( 3.8A)
 1.17A 5xipA-6gnfA:
2.8		 5xipA-6gnfA:
undetectable