SIMILAR PATTERNS OF AMINO ACIDS FOR 5XIO_B_HFGB802

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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 365
PRO A 331
ARG A 363
HIS A 385
THR A 482
 TSB  A2002 (-3.7A)
None
TSB  A2002 (-2.7A)
ZN  A   1 ( 3.3A)
TSB  A2002 (-4.3A)
 1.40A 5xioB-1evlA:
27.5		 5xioB-1evlA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 VAL A 446
PRO A 236
GLU A 551
THR A 573
HIS A 574
 None
 1.23A 5xioB-1fvfA:
undetectable		 5xioB-1fvfA:
22.43
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 GLU A 144
TRP A 158
GLU A 160
HIS A 162
THR A 228
HIS A 230
 None
 0.98A 5xioB-1hc7A:
45.6		 5xioB-1hc7A:
40.99
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 PRO A 110
THR A 111
ARG A 142
TRP A 158
GLU A 160
HIS A 162
PHE A 205
THR A 228
HIS A 230
 None
 0.78A 5xioB-1hc7A:
45.6		 5xioB-1hc7A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
THR A 235
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.77A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
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  96
VAL A  97
PRO A 116
THR A 117
HIS A 170
THR A 218
 None
None
None
5CA  A 512 (-3.5A)
None
None
 1.03A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
 0.86A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
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
HIS A 170
PHE A 212
THR A 235
HIS A 237
 None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.90A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		8 VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
THR A 235
HIS A 237
 None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.56A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
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
 1.24A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
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 GLU A  80
VAL A  81
PRO A 100
THR A 101
GLU A 152
HIS A 154
THR A 219
HIS A 221
 None
 0.67A 5xioB-1nj8A:
40.8		 5xioB-1nj8A:
37.40
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 GLU A  80
VAL A  81
PRO A 100
THR A 101
HIS A 154
PHE A 196
THR A 219
HIS A 221
 None
 1.03A 5xioB-1nj8A:
40.8		 5xioB-1nj8A:
37.40
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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 GLU A 367
PRO A 333
ARG A 365
HIS A 387
THR A 488
 TSB  A1002 ( 3.9A)
None
TSB  A1002 (-2.5A)
ZN  A1001 ( 3.3A)
TSB  A1002 ( 4.5A)
 1.37A 5xioB-1nyqA:
27.3		 5xioB-1nyqA:
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		5 PRO A 247
THR A 246
GLU A 277
HIS A 141
THR A 127
 None
S2C  A 551 ( 4.3A)
S2C  A 551 (-3.6A)
S2C  A 551 (-3.7A)
None
 1.31A 5xioB-1p8rA:
2.5		 5xioB-1p8rA:
22.69
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 GLU A 365
PRO A 331
ARG A 363
HIS A 385
THR A 482
 AMP  A1002 (-3.7A)
A  B  76 ( 4.4A)
AMP  A1002 (-2.7A)
ZN  A1001 (-3.3A)
AMP  A1002 (-3.9A)
 1.47A 5xioB-1qf6A:
27.2		 5xioB-1qf6A:
20.65
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 VAL B 317
PRO B 129
ARG B 318
HIS B 265
THR A 326
 None
 1.49A 5xioB-1wytB:
undetectable		 5xioB-1wytB:
21.97
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLU A 531
VAL A 529
PRO A 552
THR A 551
THR A 381
 None
None
None
None
DHK  A4733 (-3.9A)
 1.25A 5xioB-2o7qA:
5.2		 5xioB-2o7qA:
20.58
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 GLU A  19
PRO A   9
THR A   8
GLU A  43
THR A  48
 None
 1.35A 5xioB-2pcqA:
undetectable		 5xioB-2pcqA:
18.20
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 PHE B 272
ARG B 330
TRP B 146
HIS B 404
THR B 460
 None
None
None
None
HPA  B1780 (-3.6A)
 1.35A 5xioB-2w55B:
undetectable		 5xioB-2w55B:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cij UPF0100 PROTEIN
AF_0094

(Archaeoglobus
fulgidus) 		PF13531
(SBP_bac_11) 		5 GLU A  66
THR A  44
GLU A  45
HIS A 243
HIS A 223
 None
 1.33A 5xioB-3cijA:
2.1		 5xioB-3cijA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 PHE A 337
PRO A 356
THR A 353
GLU A  26
HIS A  27
 None
 1.33A 5xioB-3g7tA:
undetectable		 5xioB-3g7tA:
20.50
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.
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis) 		PF00701
(DHDPS) 		5 PHE A  23
PRO A  14
THR A  13
GLU A  49
THR A  54
 None
 1.43A 5xioB-3hijA:
undetectable		 5xioB-3hijA:
22.20
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 PRO A 145
THR A 146
ARG A 177
TRP A 194
GLU A 196
HIS A 198
HIS A 266
 None
PR8  A 601 (-4.0A)
PR8  A 601 ( 4.3A)
None
PR8  A 601 (-4.5A)
PR8  A 601 ( 4.5A)
PR8  A 601 ( 3.9A)
 0.34A 5xioB-3ialA:
42.3		 5xioB-3ialA:
32.96
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.
3is6 PUTATIVE PERMEASE
PROTEIN, ABC
TRANSPORTER

(Porphyromonas
gingivalis) 		PF12704
(MacB_PCD) 		5 GLU A  96
VAL A  95
THR A  99
GLU A 125
PHE A 132
 None
 0.88A 5xioB-3is6A:
undetectable		 5xioB-3is6A:
18.72
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 PHE L 171
VAL L 176
GLU M 407
HIS M 322
THR M 401
 None
 1.10A 5xioB-3rkoL:
undetectable		 5xioB-3rkoL:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 VAL A 405
PRO A 361
THR A 129
ARG A 362
GLU A 154
 None
 1.50A 5xioB-4czaA:
undetectable		 5xioB-4czaA:
21.15
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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 164
PRO A 130
ARG A 162
HIS A 184
THR A 290
 SSA  A1001 (-4.1A)
None
SSA  A1001 (-2.8A)
ZN  A1003 (-3.6A)
SSA  A1001 ( 4.3A)
 1.28A 5xioB-4eo4A:
26.9		 5xioB-4eo4A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		5 PRO A 247
THR A 246
GLU A 277
HIS A 141
THR A 127
 None
X8A  A 901 (-3.5A)
X8A  A 901 (-4.0A)
X8A  A 901 (-3.4A)
None
 1.32A 5xioB-4hxqA:
undetectable		 5xioB-4hxqA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 PHE A 144
VAL A 194
ARG A 131
PHE A 117
THR A  90
 None
 1.36A 5xioB-4lgnA:
undetectable		 5xioB-4lgnA:
20.43
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) 		8 GLU A 392
PRO A 358
THR A 359
ARG A 390
GLU A 409
HIS A 411
PHE A 454
HIS A 480
 ANP  A 801 (-3.6A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
HFG  A 802 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 (-4.0A)
 1.20A 5xioB-4ydqA:
50.7		 5xioB-4ydqA:
59.09
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 PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
GLU A 409
HIS A 411
PHE A 454
THR A 478
HIS A 480
 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 ( 4.9A)
HFG  A 802 (-4.5A)
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
 0.44A 5xioB-4ydqA:
50.7		 5xioB-4ydqA:
59.09
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) 		10 PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
PHE A 454
THR A 478
HIS A 480
 HFG  A 802 (-3.4A)
MG  A 803 ( 4.1A)
HFG  A 802 (-4.1A)
HFG  A 802 (-4.2A)
HFG  A 802 (-3.2A)
ANP  A 801 ( 2.5A)
None
HFG  A 802 (-3.6A)
HFG  A 802 ( 4.0A)
HFG  A 802 (-4.0A)
 0.67A 5xioB-4ydqA:
50.7		 5xioB-4ydqA:
59.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLU A 382
VAL A 379
PRO A 317
THR A 316
THR A 294
 None
 1.25A 5xioB-5e9aA:
2.6		 5xioB-5e9aA:
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.
5e9a BETA-GALACTOSIDASE

(Rahnella sp. R3) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLU A 382
VAL A 383
PRO A 317
THR A 316
THR A 283
 None
 1.28A 5xioB-5e9aA:
2.6		 5xioB-5e9aA:
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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLU A 472
VAL A  41
PRO A 491
THR A 465
HIS A  90
 None
 1.44A 5xioB-5kgnA:
2.7		 5xioB-5kgnA:
21.59
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 VAL B 318
THR B 239
PHE B  20
THR B 138
HIS B   6
 None
 1.49A 5xioB-5n5nB:
undetectable		 5xioB-5n5nB:
21.25
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 GLU A1100
VAL A1101
ARG A1152
TRP A1169
GLU A1171
THR A1240
 None
None
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
91Y  A1601 (-4.2A)
 0.82A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 GLU A1154
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
HIS A1242
 91Y  A1601 (-4.6A)
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.75A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 GLU A1154
THR A1121
GLU A1171
HIS A1173
PHE A1216
THR A1240
HIS A1242
 91Y  A1601 (-4.6A)
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.84A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 PHE A1097
GLU A1154
PHE A1216
THR A1240
HIS A1242
 None
91Y  A1601 (-4.6A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 1.34A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 PHE A1097
VAL A1101
PHE A1216
THR A1240
HIS A1242
 None
None
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 1.38A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 VAL A1101
PRO A1120
THR A1121
ARG A1152
TRP A1169
GLU A1171
HIS A1173
THR A1240
HIS A1242
 None
None
PRO  A1602 (-3.5A)
PRO  A1602 ( 3.4A)
None
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.59A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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
 1.29A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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 VAL A1101
THR A1121
GLU A1171
HIS A1173
PHE A1216
THR A1240
HIS A1242
 None
PRO  A1602 (-3.5A)
PRO  A1602 ( 4.7A)
PRO  A1602 ( 4.5A)
PRO  A1602 (-4.3A)
91Y  A1601 (-4.2A)
PRO  A1602 (-4.1A)
 0.70A 5xioB-5vadA:
48.5		 5xioB-5vadA:
54.34
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 8 GLU A 472
THR A 439
ARG A 470
GLU A 489
HIS A 491
PHE A 534
THR A 558
HIS A 560
 ANP  A1001 (-3.4A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
 1.25A 5xioB-5xiiA:
51.8		 5xioB-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 PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
HIS A 560
 86X  A1004 (-3.6A)
MG  A1003 (-4.1A)
86X  A1004 (-4.2A)
86X  A1004 (-4.3A)
86X  A1004 (-3.6A)
ANP  A1001 ( 2.9A)
None
None
86X  A1004 ( 4.8A)
86X  A1004 (-3.6A)
86X  A1004 (-3.9A)
86X  A1004 (-3.7A)
 0.47A 5xioB-5xiiA:
51.8		 5xioB-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 6 TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
HIS A 480
 None
 0.50A 5xioB-5xilA:
46.1		 5xioB-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 9 GLU A 364
THR A 331
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
HIS A 452
 ANP  A 803 (-3.7A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 1.23A 5xioB-5xioA:
56.6		 5xioB-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 12 PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
HIS A 452
 HFG  A 801 (-3.7A)
None
HFG  A 801 (-4.3A)
HFG  A 801 ( 4.8A)
HFG  A 801 (-3.4A)
ANP  A 803 ( 3.1A)
None
HFG  A 801 ( 4.9A)
HFG  A 801 ( 4.7A)
HFG  A 801 (-3.7A)
ANP  A 803 (-3.9A)
HFG  A 801 (-4.2A)
 0.34A 5xioB-5xioA:
56.6		 5xioB-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 11 GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
HIS A 480
 MG  A1002 ( 4.3A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
HFG  A1003 (-3.4A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 0.49A 5xioB-5xipA:
51.3		 5xioB-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 7 GLU A 392
THR A 359
ARG A 390
GLU A 409
HIS A 411
THR A 478
HIS A 480
 ANP  A1001 (-3.8A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 1.16A 5xioB-5xipA:
51.3		 5xioB-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 10 PHE A 335
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
HIS A 411
THR A 478
HIS A 480
 HFG  A1003 (-3.8A)
HFG  A1003 ( 4.6A)
HFG  A1003 (-4.3A)
HFG  A1003 (-3.9A)
ANP  A1001 (-2.8A)
HFG  A1003 (-4.7A)
HFG  A1003 ( 4.8A)
HFG  A1003 ( 4.7A)
ANP  A1001 ( 3.7A)
HFG  A1003 (-3.5A)
 0.70A 5xioB-5xipA:
51.3		 5xioB-5xipA:
undetectable