SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIP_C_HFGC1003

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) 		6 GLU A 369
VAL A 368
PRO A 279
THR A 280
THR A 286
GLY A 287
 None
 1.35A 5xipC-1cg4A:
undetectable		 5xipC-1cg4A:
22.81
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
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
GLY A 260
 None
 0.71A 5xipC-1hc7A:
46.6		 5xipC-1hc7A:
44.73
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
THR A 111
GLU A 113
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
GLY A 260
 None
 0.93A 5xipC-1hc7A:
46.6		 5xipC-1hc7A:
44.73
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) 		6 LEU A  91
GLU A 144
TRP A 158
GLU A 160
THR A 228
GLY A 260
 None
 1.07A 5xipC-1hc7A:
46.6		 5xipC-1hc7A:
44.73
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) 		8 LEU A  91
THR A 111
GLU A 113
TRP A 158
GLU A 160
PHE A 205
THR A 228
GLY A 260
 None
 1.45A 5xipC-1hc7A:
46.6		 5xipC-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.
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
 1.22A 5xipC-1jsdA:
undetectable		 5xipC-1jsdA:
19.56
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
GLU A 119
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.97A 5xipC-1nj1A:
43.2		 5xipC-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
GLU A 119
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-3.9A)
 0.84A 5xipC-1nj1A:
43.2		 5xipC-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
GLU A 119
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.93A 5xipC-1nj1A:
43.2		 5xipC-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
VAL A  97
PRO A 116
GLU A 119
HIS A 170
THR A 218
 None
None
None
None
5CA  A 512 (-3.0A)
None
None
 1.21A 5xipC-1nj1A:
43.2		 5xipC-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) 		10 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.59A 5xipC-1nj1A:
43.2		 5xipC-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
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.18A 5xipC-1nj1A:
43.2		 5xipC-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) 		6 GLU A  80
VAL A  81
PRO A 100
GLU A 103
PHE A 196
THR A 219
 None
 1.26A 5xipC-1nj8A:
42.0		 5xipC-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) 		9 LEU A  67
VAL A  81
PRO A 100
THR A 101
GLU A 103
GLU A 152
HIS A 154
THR A 219
GLY A 251
 None
 0.62A 5xipC-1nj8A:
42.0		 5xipC-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) 		8 LEU A  67
VAL A  81
PRO A 100
THR A 101
GLU A 103
HIS A 154
PHE A 196
THR A 219
 None
 0.96A 5xipC-1nj8A:
42.0		 5xipC-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
GLU A 152
PHE A 227
 None
 1.10A 5xipC-1nj8A:
42.0		 5xipC-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.
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)
 1.29A 5xipC-1omoA:
undetectable		 5xipC-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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 578
VAL A 563
PRO A 656
THR A 655
GLY A 649
 None
 1.27A 5xipC-1r8wA:
undetectable		 5xipC-1r8wA:
20.18
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 LEU A 162
PRO A 136
THR A 135
GLU A  36
GLY A 110
 None
 1.21A 5xipC-1v19A:
undetectable		 5xipC-1v19A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 129
GLU A 443
HIS A 230
THR A 276
GLY A 441
 None
 1.23A 5xipC-1v26A:
undetectable		 5xipC-1v26A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		5 LEU A  99
VAL A 113
PRO A 158
THR A 157
THR A 203
 None
None
None
None
CTP  A 500 ( 4.6A)
 1.29A 5xipC-1vpaA:
2.7		 5xipC-1vpaA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 GLU C 670
VAL C 668
GLU C 621
HIS C 617
PHE C 895
 None
 1.26A 5xipC-1wa5C:
undetectable		 5xipC-1wa5C:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 288
GLU A 266
HIS A 265
PHE A 346
GLY A 230
 ZN  A 800 (-2.8A)
ZN  A 800 (-3.4A)
ZN  A 800 (-3.3A)
None
None
 1.25A 5xipC-1z1wA:
undetectable		 5xipC-1z1wA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 GLU A 122
VAL A 119
PRO A 124
PHE A 329
THR A 321
 None
 1.15A 5xipC-2d3aA:
undetectable		 5xipC-2d3aA:
23.06
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.
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
 1.23A 5xipC-2exhA:
undetectable		 5xipC-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) 		5 GLU A  92
PRO A 108
THR A 109
GLU A 111
GLY A 317
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-3.5A)
 0.47A 5xipC-2i4nA:
28.3		 5xipC-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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 105
GLU A  92
PRO A 108
THR A 109
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.17A 5xipC-2i4nA:
28.3		 5xipC-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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 PRO A  17
THR A  16
GLU A  40
GLU A 164
THR A 185
 None
None
None
None
PLP  A 400 (-3.6A)
 1.13A 5xipC-2isqA:
undetectable		 5xipC-2isqA:
22.18
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.
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
 1.09A 5xipC-2kltA:
undetectable		 5xipC-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.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 153
VAL A 133
GLU A 193
HIS A 197
GLY A 142
 None
 1.28A 5xipC-2r3vA:
undetectable		 5xipC-2r3vA:
21.86
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		5 VAL A 122
HIS A 163
PHE A  99
THR A 140
GLY A 142
 None
CRQ  A  66 ( 3.9A)
None
None
None
 1.21A 5xipC-2vadA:
undetectable		 5xipC-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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 LEU A 337
VAL A 258
THR A 312
GLU A 350
GLY A 357
 None
 1.03A 5xipC-2z1kA:
undetectable		 5xipC-2z1kA:
23.83
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		5 LEU A 190
VAL A 141
PRO A 188
THR A 201
GLY A 204
 None
 1.25A 5xipC-3c2uA:
undetectable		 5xipC-3c2uA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 5xipC-3cdxA:
undetectable		 5xipC-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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 LEU A 265
VAL A 310
PRO A 260
THR A 237
GLU A 214
 None
 1.28A 5xipC-3dc8A:
undetectable		 5xipC-3dc8A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 LEU A 315
VAL A 126
THR A 119
PHE A 252
GLY A 112
 None
 1.22A 5xipC-3eagA:
3.0		 5xipC-3eagA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		5 GLU A 198
VAL A 197
HIS A 107
THR A 103
GLY A  86
 None
 1.07A 5xipC-3fbqA:
undetectable		 5xipC-3fbqA:
18.79
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 GLU L  60
PRO L  56
GLU L  87
HIS L  89
GLY L  84
 None
 1.17A 5xipC-3g9kL:
undetectable		 5xipC-3g9kL:
19.41
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
GLU A 148
GLU A 196
HIS A 198
PHE A 241
GLY A 296
 None
None
PR8  A 601 (-3.0A)
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 4.1A)
PR8  A 601 (-3.4A)
 0.81A 5xipC-3ialA:
42.3		 5xipC-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
GLU A 148
GLY A 264
 None
None
None
PR8  A 601 (-3.0A)
PR8  A 601 (-3.5A)
 1.22A 5xipC-3ialA:
42.3		 5xipC-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) 		9 LEU A 112
GLU A 125
PRO A 145
THR A 146
GLU A 148
TRP A 194
GLU A 196
HIS A 198
GLY A 296
 None
None
None
PR8  A 601 (-4.0A)
PR8  A 601 (-3.0A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 (-3.4A)
 0.39A 5xipC-3ialA:
42.3		 5xipC-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
 1.23A 5xipC-3mduA:
undetectable		 5xipC-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
 1.20A 5xipC-3mpgA:
undetectable		 5xipC-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
 1.13A 5xipC-3nrhA:
undetectable		 5xipC-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)
 1.24A 5xipC-3pr2B:
undetectable		 5xipC-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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		5 VAL A 148
PRO A 151
THR A 152
GLU A 109
THR A  29
 None
 1.06A 5xipC-3q6tA:
undetectable		 5xipC-3q6tA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe3 SORBITOL
DEHYDROGENASE

(Ovis aries) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  59
PRO A 121
THR A 120
PHE A 296
GLY A  95
 None
None
GOL  A 357 (-2.9A)
None
None
 1.29A 5xipC-3qe3A:
2.0		 5xipC-3qe3A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		5 LEU A 218
GLU A 184
VAL A 185
THR A 143
GLU A 151
 None
AMP  A 616 (-3.7A)
None
None
None
 1.26A 5xipC-3sgiA:
undetectable		 5xipC-3sgiA:
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 GLU A 454
THR A 480
GLU A 467
THR A  18
GLY A 465
 None
None
None
FDA  A 600 (-3.4A)
None
 1.21A 5xipC-3ukfA:
undetectable		 5xipC-3ukfA:
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.
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
 1.26A 5xipC-3vueA:
3.1		 5xipC-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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 PRO A 125
THR A 124
GLU A 148
GLU A 272
THR A 293
 None
None
None
None
PLP  A 500 (-3.6A)
 1.18A 5xipC-4aecA:
undetectable		 5xipC-4aecA:
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		5 GLU A  51
GLU A 429
HIS A 399
THR A 412
GLY A 372
 None
 1.14A 5xipC-4b61A:
undetectable		 5xipC-4b61A:
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.
4ci2 PROTEIN CEREBLON

(Gallus gallus) 		PF02190
(LON_substr_bdg)
PF03226
(Yippee-Mis18) 		5 LEU B  98
VAL B  90
GLU B 107
THR B 173
GLY B 177
 None
 1.24A 5xipC-4ci2B:
undetectable		 5xipC-4ci2B:
22.68
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.
4d48 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Erwinia
amylovora) 		PF00483
(NTP_transferase) 		5 VAL A 119
PRO A  14
GLU A  32
THR A  20
GLY A  19
 None
 1.20A 5xipC-4d48A:
undetectable		 5xipC-4d48A:
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.
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
 1.23A 5xipC-4ex6A:
undetectable		 5xipC-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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 LEU A 260
VAL A 266
HIS A 274
PHE A 124
GLY A 323
 None
 1.24A 5xipC-4f0lA:
undetectable		 5xipC-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.
4fn5 ELONGATION FACTOR G
1

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 LEU A 343
GLU A 358
VAL A 349
THR A 326
GLY A 331
 None
 1.21A 5xipC-4fn5A:
undetectable		 5xipC-4fn5A:
22.24
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 290
VAL A 209
THR A 331
GLU A 307
GLY A 334
 None
 1.12A 5xipC-4isbA:
undetectable		 5xipC-4isbA:
21.34
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

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

(Desulfitobacterium
hafniense) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 LEU A 173
VAL A 136
PRO A 141
PHE A 109
GLY A 117
 None
None
None
COB  A 301 (-3.6A)
None
 1.21A 5xipC-4jgiA:
6.8		 5xipC-4jgiA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4km3 METHIONINE
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF00557
(Peptidase_M24) 		5 LEU A  95
GLU A  41
VAL A  40
GLU A  78
THR A 248
 None
 1.13A 5xipC-4km3A:
undetectable		 5xipC-4km3A:
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 LEU A 122
GLU A 133
THR A 139
PHE A 219
GLY A 177
 None
 1.24A 5xipC-4mfzA:
undetectable		 5xipC-4mfzA:
22.73
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.
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
 1.10A 5xipC-4mk3A:
undetectable		 5xipC-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
 1.10A 5xipC-4mz0A:
2.1		 5xipC-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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 LEU A 555
VAL A 563
THR A 569
PHE A 517
GLY A 523
 None
 1.12A 5xipC-4nfuA:
undetectable		 5xipC-4nfuA:
22.36
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.
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
 1.25A 5xipC-4nv4A:
undetectable		 5xipC-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) 		5 LEU A 250
GLU A 243
VAL A 245
THR A 215
GLY A 214
 None
None
None
EDO  A 311 ( 4.9A)
BU1  A 307 (-4.1A)
 1.16A 5xipC-4op4A:
undetectable		 5xipC-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) 		6 GLU A 392
THR A 359
GLU A 409
HIS A 411
THR A 478
GLY A 510
 ANP  A 801 (-3.6A)
HFG  A 802 (-3.2A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-3.7A)
 1.04A 5xipC-4ydqA:
50.6		 5xipC-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) 		12 LEU A 325
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510
 None
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
HFG  A 802 (-2.9A)
None
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-3.7A)
 0.60A 5xipC-4ydqA:
50.6		 5xipC-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) 		5 VAL A 339
PRO A 358
THR A 359
GLU A 409
PHE A 486
 HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
HFG  A 802 ( 4.9A)
None
 1.19A 5xipC-4ydqA:
50.6		 5xipC-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.
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
 1.17A 5xipC-5cioA:
undetectable		 5xipC-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.
5dmn HOMOCYSTEINE
S-METHYLTRANSFERASE

(Escherichia
coli) 		PF02574
(S-methyl_trans) 		5 LEU A 157
VAL A  96
GLU A 168
THR A 298
GLY A 294
 None
 1.29A 5xipC-5dmnA:
undetectable		 5xipC-5dmnA:
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.
5j9r CHOLOYLGLYCINE
HYDROLASE

(Agrobacterium
tumefaciens) 		PF02275
(CBAH) 		5 LEU A 184
PRO A 176
THR A 177
GLU A 155
HIS A 164
 None
 1.23A 5xipC-5j9rA:
undetectable		 5xipC-5j9rA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.25A 5xipC-5kzmB:
undetectable		 5xipC-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.
5l7d SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF01392
(Fz)
PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 LEU A 146
VAL A 182
PRO A 124
TRP A 119
GLY A 111
 None
None
None
None
CLR  A1203 (-4.0A)
 1.26A 5xipC-5l7dA:
undetectable		 5xipC-5l7dA:
21.85
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		5 GLU A 154
GLU A 343
GLU A 225
HIS A 296
GLY A 223
 EDO  A 612 ( 4.5A)
6S6  A 613 (-1.9A)
6S6  A 613 (-3.4A)
None
None
 1.13A 5xipC-5la7A:
undetectable		 5xipC-5la7A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npu ANC27

(synthetic
construct) 		no annotation 5 LEU A 215
GLU A 271
VAL A 274
THR A 260
THR A 542
 None
 1.24A 5xipC-5npuA:
3.7		 5xipC-5npuA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		7 LEU A1087
GLU A1100
VAL A1101
PRO A1120
GLU A1123
HIS A1173
THR A1222
 None
None
None
None
PRO  A1602 (-2.8A)
PRO  A1602 ( 4.5A)
None
 1.40A 5xipC-5vadA:
48.7		 5xipC-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) 		11 LEU A1087
GLU A1100
VAL A1101
PRO A1120
THR A1121
GLU A1123
TRP A1169
GLU A1171
HIS A1173
THR A1240
GLY A1274
 None
None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.64A 5xipC-5vadA:
48.7		 5xipC-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) 		11 LEU A1087
VAL A1101
PRO A1120
THR A1121
GLU A1123
TRP A1169
GLU A1171
HIS A1173
PHE A1216
THR A1240
GLY A1274
 None
None
None
PRO  A1602 (-3.5A)
PRO  A1602 (-2.8A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-3.7A)
 0.63A 5xipC-5vadA:
48.7		 5xipC-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
GLU A1171
PHE A1248
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
None
 1.23A 5xipC-5vadA:
48.7		 5xipC-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.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLU A 147
VAL A 144
PRO A 255
THR A 441
GLY A 412
 None
 1.26A 5xipC-5xfmA:
undetectable		 5xipC-5xfmA:
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 7 GLU A 472
THR A 439
TRP A 487
GLU A 489
HIS A 491
THR A 558
GLY A 590
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.9A)
86X  A1004 ( 4.2A)
 1.08A 5xipC-5xiiA:
52.5		 5xipC-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 7 LEU A 405
GLU A 418
VAL A 419
GLU A 441
HIS A 491
PHE A 534
THR A 540
 None
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-3.0A)
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
None
 1.48A 5xipC-5xiiA:
52.5		 5xipC-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
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
GLY A 590
 None
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 ( 4.2A)
 0.34A 5xipC-5xiiA:
52.5		 5xipC-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 5 VAL A 419
PRO A 438
THR A 439
GLU A 489
PHE A 566
 86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
None
None
 1.22A 5xipC-5xiiA:
52.5		 5xipC-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 7 GLU A 361
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 512
 None
 0.58A 5xipC-5xilA:
46.2		 5xipC-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
TRP A 379
GLU A 381
HIS A 383
THR A 450
GLY A 482
 ANP  A 803 (-3.7A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 1.11A 5xipC-5xioA:
50.6		 5xipC-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 7 LEU A 297
GLU A 310
VAL A 311
THR A 331
PHE A 426
THR A 450
GLY A 482
 None
None
HFG  A 801 (-4.3A)
HFG  A 801 (-3.4A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 0.67A 5xipC-5xioA:
50.6		 5xipC-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
VAL A 311
PRO A 330
THR A 331
GLU A 333
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
GLY A 482
 None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
HFG  A 801 (-3.0A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-3.9A)
 0.31A 5xipC-5xioA:
50.6		 5xipC-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 5 VAL A 311
PRO A 330
THR A 331
GLU A 381
PHE A 458
 HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
HFG  A 801 ( 4.9A)
None
 1.19A 5xipC-5xioA:
50.6		 5xipC-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
TRP A 407
GLU A 409
HIS A 411
THR A 478
GLY A 510
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 1.04A 5xipC-5xipA:
54.5		 5xipC-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
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510
 None
MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
HFG  A1003 (-2.9A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 ( 3.9A)
 0.26A 5xipC-5xipA:
54.5		 5xipC-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 5 VAL A 339
PRO A 358
THR A 359
GLU A 409
PHE A 486
 HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
HFG  A1003 ( 4.8A)
None
 1.18A 5xipC-5xipA:
54.5		 5xipC-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
VAL A 638
THR A 641
THR A 583
GLY A 470
 None
 0.90A 5xipC-5yudA:
undetectable		 5xipC-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.
5zi9 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Streptomyces
coelicolor) 		no annotation 5 GLU A 117
THR A  83
GLU A  89
THR A 179
GLY A 176
 None
None
None
FLC  A 502 ( 3.8A)
FLC  A 502 (-3.4A)
 1.26A 5xipC-5zi9A:
3.3		 5xipC-5zi9A:
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
 1.28A 5xipC-6bf6A:
undetectable		 5xipC-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.
6bii GLYOXYLATE REDUCTASE

(Pyrococcus
yayanosii) 		no annotation 5 LEU A 264
VAL A 283
THR A 247
GLU A 268
HIS A 220
 None
 1.28A 5xipC-6biiA:
undetectable		 5xipC-6biiA:
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 LEU A 334
GLU A 349
VAL A 340
THR A 317
GLY A 322
 None
 1.18A 5xipC-6bk7A:
2.3		 5xipC-6bk7A:
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.
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)
 1.15A 5xipC-6gnfA:
3.0		 5xipC-6gnfA:
undetectable