SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIP_A_HFGA1003

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		3 GLU A 450
TRP A 117
HIS A 447
 None
 0.89A 5xipA-1b41A:
0.0		 5xipA-1b41A:
21.46
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		3 GLU A 450
TRP A 117
HIS A 447
 None
 0.93A 5xipA-1c2oA:
0.0		 5xipA-1c2oA:
22.58
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		3 GLU A 402
TRP A 102
HIS A 399
 None
 0.90A 5xipA-1c7jA:
0.0		 5xipA-1c7jA:
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.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum) 		PF00150
(Cellulase) 		3 GLU A 170
TRP A 180
HIS A 123
 None
 0.76A 5xipA-1edgA:
0.0		 5xipA-1edgA:
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		3 GLU A 443
TRP A 114
HIS A 440
 None
None
EMM  A1999 ( 3.8A)
 0.96A 5xipA-1gqrA:
1.1		 5xipA-1gqrA:
21.78
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) 		3 GLU A 113
TRP A 158
HIS A 230
 None
 0.90A 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.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 901 ( 4.5A)
None
ZN  A 901 ( 3.2A)
 1.03A 5xipA-1jd0A:
0.0		 5xipA-1jd0A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 117
TRP A 209
HIS A  94
 None
None
ZN  A 901 ( 3.2A)
 1.12A 5xipA-1jd0A:
0.0		 5xipA-1jd0A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		3 GLU A  98
TRP A 187
HIS A  92
 ZN  A 301 ( 4.6A)
None
ZN  A 301 ( 3.2A)
 0.98A 5xipA-1kopA:
0.0		 5xipA-1kopA:
17.69
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.
1kop CARBONIC ANHYDRASE

(Neisseria
gonorrhoeae) 		PF00194
(Carb_anhydrase) 		3 GLU A 109
TRP A 187
HIS A  92
 None
None
ZN  A 301 ( 3.2A)
 0.97A 5xipA-1kopA:
0.0		 5xipA-1kopA:
17.69
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		3 GLU A 605
TRP A 437
HIS A 347
 None
ACR  A 700 (-4.8A)
None
 1.12A 5xipA-1lf9A:
0.0		 5xipA-1lf9A:
20.26
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		3 GLU A 203
TRP A  75
HIS A 173
 None
 1.06A 5xipA-1p1mA:
undetectable		 5xipA-1p1mA:
21.79
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		3 GLU A 483
TRP A 146
HIS A 480
 None
None
SO4  A 593 (-4.1A)
 1.11A 5xipA-1qonA:
undetectable		 5xipA-1qonA:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 GLU A 305
TRP A  54
HIS A 298
 None
 1.06A 5xipA-1r9jA:
3.6		 5xipA-1r9jA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta3 XYLANASE INHIBITOR
PROTEIN I
ENDO-1,4-BETA-XYLANA
SE

(Triticum
aestivum;
Aspergillus
nidulans) 		PF00704
(Glyco_hydro_18)
PF00331
(Glyco_hydro_10) 		3 GLU B 132
TRP B 212
HIS A 232
 None
 0.77A 5xipA-1ta3B:
undetectable		 5xipA-1ta3B:
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 GLU A 288
TRP A 360
HIS A 299
 None
 1.10A 5xipA-1ufaA:
undetectable		 5xipA-1ufaA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 280 ( 4.7A)
None
ZN  A 280 (-3.2A)
 0.93A 5xipA-1urtA:
undetectable		 5xipA-1urtA:
20.44
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.
1urt CARBONIC ANHYDRASE V

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 117
TRP A 209
HIS A  94
 None
None
ZN  A 280 (-3.2A)
 1.04A 5xipA-1urtA:
undetectable		 5xipA-1urtA:
20.44
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		3 GLU A 122
TRP A 227
HIS A 115
 ZN  A 283 ( 4.5A)
None
ZN  A 283 ( 3.2A)
 1.09A 5xipA-1y7wA:
undetectable		 5xipA-1y7wA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		3 GLU A 133
TRP A 227
HIS A 115
 None
None
ZN  A 283 ( 3.2A)
 1.11A 5xipA-1y7wA:
undetectable		 5xipA-1y7wA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		3 GLU A 511
TRP A 450
HIS A 522
 None
 0.79A 5xipA-2hyxA:
2.5		 5xipA-2hyxA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 561 ( 4.9A)
None
ZN  A 561 ( 3.2A)
 1.07A 5xipA-2it4A:
undetectable		 5xipA-2it4A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		3 GLU A 237
TRP A  98
HIS A 234
 GUN  A 600 (-2.8A)
None
GUN  A 600 ( 2.8A)
 0.89A 5xipA-2oodA:
undetectable		 5xipA-2oodA:
23.87
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.
2rgn RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 25

(Homo sapiens) 		PF00621
(RhoGEF) 		3 GLU B 224
TRP B 234
HIS B 242
 None
 1.08A 5xipA-2rgnB:
undetectable		 5xipA-2rgnB:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 GLU A 908
TRP A 896
HIS A1064
 None
 0.91A 5xipA-2vz9A:
undetectable		 5xipA-2vz9A:
11.66
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A   1 ( 4.8A)
None
ZN  A   1 ( 3.3A)
 0.96A 5xipA-2zncA:
undetectable		 5xipA-2zncA:
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.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		3 GLU A 117
TRP A 209
HIS A  94
 None
None
ZN  A   1 ( 3.3A)
 1.03A 5xipA-2zncA:
undetectable		 5xipA-2zncA:
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		3 GLU A 154
TRP A 164
HIS A 111
 None
 1.01A 5xipA-3ayrA:
undetectable		 5xipA-3ayrA:
22.55
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 169
TRP A 270
HIS A 163
 ZN  A 378 ( 4.5A)
None
ZN  A 378 (-3.2A)
 1.07A 5xipA-3b1bA:
undetectable		 5xipA-3b1bA:
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 180
TRP A 270
HIS A 163
 None
None
ZN  A 378 (-3.2A)
 1.09A 5xipA-3b1bA:
undetectable		 5xipA-3b1bA:
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.
3da2 CARBONIC ANHYDRASE
13

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 107
TRP A 210
HIS A  95
 ZN  A 301 ( 4.9A)
None
ZN  A 301 ( 3.6A)
 1.12A 5xipA-3da2A:
undetectable		 5xipA-3da2A:
17.62
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 GLU A 601
TRP A 571
HIS A 603
 None
 0.94A 5xipA-3decA:
undetectable		 5xipA-3decA:
19.67
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 GLU A 601
TRP A 571
HIS A 895
 None
 1.06A 5xipA-3decA:
undetectable		 5xipA-3decA:
19.67
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 125
TRP A 230
HIS A 111
 MG  A 901 ( 4.4A)
None
MG  A 901 (-3.4A)
 0.87A 5xipA-3fe4A:
undetectable		 5xipA-3fe4A:
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 136
TRP A 230
HIS A 111
 None
None
MG  A 901 (-3.4A)
 0.95A 5xipA-3fe4A:
undetectable		 5xipA-3fe4A:
21.00
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) 		3 GLU A 148
TRP A 194
HIS A 266
 PR8  A 601 (-3.0A)
None
PR8  A 601 ( 3.9A)
 0.35A 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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF4
PRE-MRNA-SPLICING
FACTOR CWF3

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF02184
(HAT)
PF02184
(HAT) 		3 GLU r 538
TRP r 553
HIS R 285
 None
 0.77A 5xipA-3jb9r:
undetectable		 5xipA-3jb9r:
5.02
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 GLU A1471
TRP A1138
HIS A1468
 None
 1.07A 5xipA-3k9bA:
undetectable		 5xipA-3k9bA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		3 GLU A 118
TRP A 109
HIS A  90
 None
None
CA  A 471 (-3.6A)
 0.82A 5xipA-3lnpA:
undetectable		 5xipA-3lnpA:
21.07
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 263 ( 4.6A)
None
ZN  A 263 ( 3.2A)
 1.09A 5xipA-3ml5A:
undetectable		 5xipA-3ml5A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmw ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		3 GLU A  98
TRP A  30
HIS A  95
 CD  A 318 (-2.3A)
None
None
 1.00A 5xipA-3mmwA:
undetectable		 5xipA-3mmwA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		3 GLU A  60
TRP A 228
HIS A 123
 None
 1.06A 5xipA-3nqhA:
undetectable		 5xipA-3nqhA:
20.43
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		3 GLU A 129
TRP A 225
HIS A 123
 ZN  A   1 ( 4.7A)
MLT  A   3 (-4.9A)
ZN  A   1 ( 3.2A)
 1.08A 5xipA-3q31A:
undetectable		 5xipA-3q31A:
18.15
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.
3q31 CARBONIC ANHYDRASE

(Aspergillus
oryzae) 		PF00194
(Carb_anhydrase) 		3 GLU A 140
TRP A 225
HIS A 123
 None
MLT  A   3 (-4.9A)
ZN  A   1 ( 3.2A)
 1.02A 5xipA-3q31A:
undetectable		 5xipA-3q31A:
18.15
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		3 GLU A 155
TRP A 162
HIS A 169
 GOL  A 278 (-3.4A)
PG4  A 274 ( 4.0A)
PG4  A 274 (-3.9A)
 1.09A 5xipA-3rq0A:
undetectable		 5xipA-3rq0A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 208
HIS A  94
 ZN  A 261 ( 4.9A)
None
ZN  A 261 (-3.3A)
 0.93A 5xipA-3uyqA:
undetectable		 5xipA-3uyqA:
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.
3uyq CARBONIC ANHYDRASE 3

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 117
TRP A 208
HIS A  94
 None
None
ZN  A 261 (-3.3A)
 1.07A 5xipA-3uyqA:
undetectable		 5xipA-3uyqA:
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		3 GLU A 209
TRP A  81
HIS A 179
 UNL  A 436 ( 2.8A)
None
UNL  A 436 ( 3.9A)
 1.03A 5xipA-3v7pA:
undetectable		 5xipA-3v7pA:
21.89
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		3 GLU A 107
TRP A  98
HIS A  80
 None
None
ZN  A 504 (-3.1A)
 0.92A 5xipA-4dzhA:
undetectable		 5xipA-4dzhA:
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		3 GLU A 230
TRP A  98
HIS A 200
 ZN  A 505 ( 4.2A)
None
None
 1.10A 5xipA-4dzhA:
undetectable		 5xipA-4dzhA:
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		3 GLU A  99
TRP A  90
HIS A  72
 NOS  A 501 ( 2.8A)
None
NOS  A 501 (-3.7A)
 1.01A 5xipA-4f0sA:
undetectable		 5xipA-4f0sA:
21.26
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		3 GLU A 222
TRP A  90
HIS A 192
 NOS  A 501 (-3.0A)
None
NOS  A 501 (-4.0A)
 0.94A 5xipA-4f0sA:
undetectable		 5xipA-4f0sA:
21.26
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		3 GLU A  79
TRP A 180
HIS A  64
 None
GOL  A 805 (-3.7A)
CBI  A 802 (-4.4A)
 0.75A 5xipA-4fusA:
undetectable		 5xipA-4fusA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		3 GLU A  95
TRP A 184
HIS A  89
 AZM  A 302 ( 4.6A)
None
ZN  A 301 ( 3.2A)
 1.10A 5xipA-4g7aA:
undetectable		 5xipA-4g7aA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 184
HIS A  89
 None
None
ZN  A 301 ( 3.2A)
 1.12A 5xipA-4g7aA:
undetectable		 5xipA-4g7aA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		3 GLU A 225
TRP A 100
HIS A 251
 None
 1.10A 5xipA-4hjwA:
undetectable		 5xipA-4hjwA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		3 GLU A 193
TRP A 203
HIS A 149
 None
 0.96A 5xipA-4im4A:
undetectable		 5xipA-4im4A:
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		3 GLU A  45
TRP A 148
HIS A 120
 None
 1.02A 5xipA-4jqsA:
2.6		 5xipA-4jqsA:
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		3 GLU A 225
TRP A 100
HIS A 251
 None
 1.07A 5xipA-4lanA:
undetectable		 5xipA-4lanA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nf7 ENDO-1,4-BETA-GLUCAN
ASE CEL5C

(Butyrivibrio
proteoclasticus) 		PF00150
(Cellulase) 		3 GLU A 189
TRP A 199
HIS A 141
 None
 0.98A 5xipA-4nf7A:
undetectable		 5xipA-4nf7A:
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		3 GLU A 392
TRP A 458
HIS A 482
 None
None
NI  A 501 (-3.4A)
 0.87A 5xipA-4oflA:
2.2		 5xipA-4oflA:
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.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 301 ( 4.5A)
None
ZN  A 301 (-3.2A)
 1.07A 5xipA-4qk3A:
undetectable		 5xipA-4qk3A:
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		3 GLU A 443
TRP A 114
HIS A 440
 None
 0.90A 5xipA-4qwwA:
undetectable		 5xipA-4qwwA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		3 GLU A  88
TRP A 388
HIS A 126
 None
 0.81A 5xipA-4r27A:
undetectable		 5xipA-4r27A:
23.43
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		3 GLU A 118
TRP A 208
HIS A 112
 AZM  A 299 ( 4.4A)
None
ZN  A 298 (-3.2A)
 1.07A 5xipA-4uovA:
undetectable		 5xipA-4uovA:
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.
4uov CARBONATE
DEHYDRATASE

(Thermovibrio
ammonificans) 		PF00194
(Carb_anhydrase) 		3 GLU A 129
TRP A 208
HIS A 112
 None
None
ZN  A 298 (-3.2A)
 1.08A 5xipA-4uovA:
undetectable		 5xipA-4uovA:
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
fortuitum) 		PF00722
(Glyco_hydro_16) 		3 GLU A 168
TRP A 175
HIS A 182
 GLU  A 168 (-0.5A)
TRP  A 175 ( 0.5A)
HIS  A 182 ( 1.0A)
 1.03A 5xipA-4w65A:
undetectable		 5xipA-4w65A:
17.81
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 GLU A 240
TRP A 250
HIS A 195
 BGC  A 502 ( 3.2A)
BGC  A 502 ( 3.8A)
None
 1.06A 5xipA-4w87A:
undetectable		 5xipA-4w87A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzf 1,3-BETA-GLUCANASE

(Mycobacterium
tuberculosis) 		PF00722
(Glyco_hydro_16) 		3 GLU A 176
TRP A 183
HIS A 190
 EDO  A 402 (-3.5A)
None
None
 1.11A 5xipA-4wzfA:
undetectable		 5xipA-4wzfA:
16.80
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.
4xfw ALPHA-CARBONIC
ANHYDRASE

(Helicobacter
pylori) 		PF00194
(Carb_anhydrase) 		3 GLU A 116
TRP A 201
HIS A 110
 ZN  A 301 (-4.9A)
None
ZN  A 301 (-3.3A)
 0.98A 5xipA-4xfwA:
undetectable		 5xipA-4xfwA:
19.43
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		3 GLU A 441
TRP A 112
HIS A 438
 None
None
40V  A1001 (-3.6A)
 0.87A 5xipA-4xiiA:
undetectable		 5xipA-4xiiA:
19.86
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 166
TRP A 264
HIS A 160
 2HP  A 402 ( 4.7A)
None
ZN  A 401 ( 3.2A)
 1.08A 5xipA-4xixA:
undetectable		 5xipA-4xixA:
21.21
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		3 GLU A 177
TRP A 264
HIS A 160
 None
None
ZN  A 401 ( 3.2A)
 1.10A 5xipA-4xixA:
undetectable		 5xipA-4xixA:
21.21
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		3 GLU A  46
TRP A 149
HIS A  31
 None
PGE  A 712 ( 3.8A)
None
 0.74A 5xipA-4xwlA:
undetectable		 5xipA-4xwlA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xxp PUTATIVE
UNCHARACTERIZED
PROTEIN (RV0315
ORTHOLOG)

(Mycobacterium
avium) 		PF00722
(Glyco_hydro_16) 		3 GLU A 164
TRP A 171
HIS A 178
 None
 1.00A 5xipA-4xxpA:
undetectable		 5xipA-4xxpA:
17.80
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.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		3 GLU A 171
TRP A 262
HIS A 165
 ZN  A 401 ( 4.5A)
None
ZN  A 401 ( 3.2A)
 1.04A 5xipA-4xz5A:
undetectable		 5xipA-4xz5A:
18.22
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.
4xz5 CARBONIC ANHYDRASE,
ALPHA FAMILY

(Hydrogenovibrio
crunogenus) 		PF00194
(Carb_anhydrase) 		3 GLU A 182
TRP A 262
HIS A 165
 None
None
ZN  A 401 ( 3.2A)
 1.10A 5xipA-4xz5A:
undetectable		 5xipA-4xz5A:
18.22
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) 		3 GLU A 361
TRP A 407
HIS A 480
 HFG  A 802 (-2.9A)
None
HFG  A 802 (-4.0A)
 0.99A 5xipA-4ydqA:
50.7		 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.
4zjf GLYCOPROTEIN

(Lassa
mammarenavirus) 		PF00798
(Arena_glycoprot) 		3 GLU A 104
TRP A 227
HIS A  93
 None
 0.95A 5xipA-4zjfA:
undetectable		 5xipA-4zjfA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		3 GLU A 216
TRP A 465
HIS A 316
 GAL  A 701 (-2.8A)
LOG  A 702 (-3.8A)
None
 0.58A 5xipA-5bxpA:
3.0		 5xipA-5bxpA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxd PUTATIVE
BETA-GLUCANASE

(Mycobacteroides
abscessus) 		PF00722
(Glyco_hydro_16) 		3 GLU A 146
TRP A 153
HIS A 160
 None
 1.10A 5xipA-5dxdA:
undetectable		 5xipA-5dxdA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		3 GLU X 105
TRP X 207
HIS X  93
 ZN  X 301 ( 4.6A)
None
ZN  X 301 (-3.2A)
 1.10A 5xipA-5eztX:
undetectable		 5xipA-5eztX:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		3 GLU A 162
TRP A 179
HIS A  73
 None
 0.67A 5xipA-5f5wA:
7.7		 5xipA-5f5wA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		3 GLU A 452
TRP A 121
HIS A 449
 None
 0.88A 5xipA-5fv4A:
undetectable		 5xipA-5fv4A:
23.62
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.
5h3b UNCHARACTERIZED
PROTEIN HI_1552

(Haemophilus
influenzae) 		PF04301
(DUF452) 		3 GLU A  72
TRP A 187
HIS A 165
 None
 0.95A 5xipA-5h3bA:
undetectable		 5xipA-5h3bA:
18.40
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 GLU A 224
TRP A 301
HIS A 221
 None
 0.91A 5xipA-5h80A:
3.1		 5xipA-5h80A:
20.07
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.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		3 GLU A 102
TRP A 192
HIS A  96
 ZN  A 301 ( 4.6A)
None
ZN  A 301 (-3.2A)
 1.06A 5xipA-5hpjA:
undetectable		 5xipA-5hpjA:
18.60
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.
5hpj CARBONIC ANHYDRASE

(Photobacterium
profundum) 		PF00194
(Carb_anhydrase) 		3 GLU A 113
TRP A 192
HIS A  96
 None
None
ZN  A 301 (-3.2A)
 1.00A 5xipA-5hpjA:
undetectable		 5xipA-5hpjA:
18.60
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 106
TRP A 209
HIS A  94
 ZN  A 301 ( 4.6A)
None
ZN  A 301 ( 3.3A)
 0.97A 5xipA-5jn9A:
undetectable		 5xipA-5jn9A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 GLU A 117
TRP A 209
HIS A  94
 None
None
ZN  A 301 ( 3.3A)
 1.11A 5xipA-5jn9A:
undetectable		 5xipA-5jn9A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbo GLYCOSYL HYDROLASE
FAMILY 16

(Bacteroides
ovatus) 		no annotation 3 GLU A  62
TRP A 129
HIS A  54
 None
 0.98A 5xipA-5nboA:
undetectable		 5xipA-5nboA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nff GLYCOPROTEIN

(Morogoro
mammarenavirus) 		no annotation 3 GLU B 103
TRP B 225
HIS B  92
 None
 1.00A 5xipA-5nffB:
undetectable		 5xipA-5nffB:
15.01
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.
5uz5 U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 3 GLU D 256
TRP D 279
HIS D 140
 None
 1.09A 5xipA-5uz5D:
undetectable		 5xipA-5uz5D:
18.31
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) 		3 GLU A1123
TRP A1169
HIS A1242
 PRO  A1602 (-2.8A)
None
PRO  A1602 (-4.1A)
 0.42A 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 3 GLU A 441
TRP A 487
HIS A 560
 86X  A1004 (-3.0A)
None
86X  A1004 (-3.7A)
 0.25A 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 3 GLU A 361
TRP A 407
HIS A 480
 None
 0.83A 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 3 GLU A 333
TRP A 379
HIS A 452
 HFG  A 801 (-3.0A)
None
HFG  A 801 (-4.2A)
 0.27A 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 3 GLU A 361
TRP A 407
HIS A 480
 HFG  A1003 (-2.9A)
HFG  A1003 (-4.7A)
HFG  A1003 (-3.5A)
 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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 3 GLU A 603
TRP A 275
HIS A 600
 None
 0.93A 5xipA-6arxA:
undetectable		 5xipA-6arxA:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 3 GLU A 134
TRP A 212
HIS A 117
 None
None
ZN  A 301 (-3.3A)
 1.11A 5xipA-6ekiA:
undetectable		 5xipA-6ekiA:
undetectable