SIMILAR PATTERNS OF AMINO ACIDS FOR 5E3I_A_HISA502

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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 214
GLU A 233
TYR A 339
GLY A 365
GLY A 405
 ATP  A 500 (-2.7A)
None
None
None
None
 1.05A 5e3iA-1b8aA:
14.7		 5e3iA-1b8aA:
22.90
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
GLN A 231
GLY A 486
GLY A 530
ALA A 532
 AMO  A 831 (-3.0A)
AMO  A 831 (-3.2A)
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
AMO  A 831 (-3.5A)
 0.32A 5e3iA-1c0aA:
14.7		 5e3iA-1c0aA:
21.93
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
GLU A 235
GLY A 486
GLY A 530
ALA A 532
 AMO  A 831 (-3.0A)
None
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
AMO  A 831 (-3.5A)
 0.91A 5e3iA-1c0aA:
14.7		 5e3iA-1c0aA:
21.93
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 188
ARG A 220
GLN A 237
GLU A 241
TYR A 287
 GAP  A1550 ( 2.6A)
GAP  A1550 ( 2.4A)
GAP  A1550 ( 3.5A)
None
None
 1.02A 5e3iA-1ggmA:
21.9		 5e3iA-1ggmA:
24.00
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 188
ARG A 220
GLN A 237
TYR A 287
GLY A 307
 GAP  A1550 ( 2.6A)
GAP  A1550 ( 2.4A)
GAP  A1550 ( 3.5A)
None
GAP  A1550 ( 4.6A)
 1.12A 5e3iA-1ggmA:
21.9		 5e3iA-1ggmA:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 GLU B  81
THR B  83
GLN B 126
GLU B 130
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.69A 5e3iA-1h4vB:
35.0		 5e3iA-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU B  81
THR B  83
GLN B 126
GLU B 130
TYR B 264
TYR B 288
ALA B 306
 None
 0.89A 5e3iA-1h4vB:
35.0		 5e3iA-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR B 264
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.98A 5e3iA-1h4vB:
35.0		 5e3iA-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		12 GLU A  83
THR A  85
ARG A 113
GLN A 127
GLU A 131
LEU A 261
TYR A 263
TYR A 264
GLY A 285
TYR A 288
GLY A 304
ALA A 306
 HIS  A 450 ( 3.8A)
HIS  A 450 ( 3.2A)
AMP  A 451 ( 2.3A)
HIS  A 450 (-3.1A)
HIS  A 450 ( 3.0A)
AMP  A 451 (-4.6A)
None
HIS  A 450 ( 4.6A)
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
HIS  A 450 ( 4.0A)
 0.29A 5e3iA-1httA:
43.6		 5e3iA-1httA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 GLU A  83
THR A  85
GLN A 127
TYR A 263
GLY A 304
ALA A 306
 HIS  A 450 ( 3.8A)
HIS  A 450 ( 3.2A)
HIS  A 450 (-3.1A)
None
HIS  A 450 ( 4.2A)
HIS  A 450 ( 4.0A)
 1.39A 5e3iA-1httA:
43.6		 5e3iA-1httA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 THR A  85
GLU A 131
LEU A 261
TYR A 263
TYR A 264
GLY A 286
GLY A 304
 HIS  A 450 ( 3.2A)
HIS  A 450 ( 3.0A)
AMP  A 451 (-4.6A)
None
HIS  A 450 ( 4.6A)
None
HIS  A 450 ( 4.2A)
 1.11A 5e3iA-1httA:
43.6		 5e3iA-1httA:
55.68
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 THR A 379
GLU A 382
TYR A 429
TYR A 440
ALA A 383
 None
 1.09A 5e3iA-1l2qA:
undetectable		 5e3iA-1l2qA:
21.75
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.26A 5e3iA-1n60B:
undetectable		 5e3iA-1n60B:
19.95
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 LEU A 110
TYR A 117
GLY A 153
TYR A 108
GLY A 170
 None
 1.25A 5e3iA-1ovwA:
undetectable		 5e3iA-1ovwA:
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 TYR A 117
GLY A 153
TYR A 108
GLY A 170
ALA A 163
 None
None
None
None
PCA  A   1 ( 4.3A)
 1.19A 5e3iA-1ovwA:
undetectable		 5e3iA-1ovwA:
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.
1pto PERTUSSIS TOXIN

(Bordetella
pertussis) 		PF02918
(Pertussis_S2S3)
PF03440
(APT) 		5 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.82A 5e3iA-1ptoC:
undetectable		 5e3iA-1ptoC:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 GLU A  80
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
 None
 0.95A 5e3iA-1qe0A:
34.3		 5e3iA-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
GLY A 305
ALA A 307
 None
 0.95A 5e3iA-1qe0A:
34.3		 5e3iA-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 130
TYR A 262
TYR A 289
GLY A 305
ALA A 307
 None
 1.10A 5e3iA-1qe0A:
34.3		 5e3iA-1qe0A:
40.09
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.24A 5e3iA-1t3qA:
undetectable		 5e3iA-1t3qA:
16.94
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		7 THR C  55
GLN C  92
GLU C  96
TYR C 234
GLY C 253
TYR C 256
GLY C 265
 None
 0.63A 5e3iA-1usyC:
9.0		 5e3iA-1usyC:
20.31
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A  81
THR A  83
GLY A 290
TYR A 293
GLY A 309
 None
 0.96A 5e3iA-1wu7A:
31.1		 5e3iA-1wu7A:
29.32
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  83
GLN A 124
TYR A 270
GLY A 290
TYR A 293
GLY A 309
 None
 1.01A 5e3iA-1wu7A:
31.1		 5e3iA-1wu7A:
29.32
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR A 269
TYR A 270
GLY A 290
TYR A 293
GLY A 309
 None
 0.87A 5e3iA-1wu7A:
31.1		 5e3iA-1wu7A:
29.32
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 211
GLU A 230
TYR A 333
GLY A 361
GLY A 401
 NSS  A3002 (-2.9A)
None
None
NSS  A3002 ( 4.2A)
NSS  A3002 ( 4.9A)
 0.97A 5e3iA-1x55A:
14.6		 5e3iA-1x55A:
22.09
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		6 THR A  86
ARG A 112
GLN A 126
GLU A 130
TYR A 291
GLY A 306
 None
 1.11A 5e3iA-1z7mA:
23.7		 5e3iA-1z7mA:
27.79
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLN A 126
GLU A 130
GLY A 288
GLY A 306
 None
 0.58A 5e3iA-1z7mA:
23.7		 5e3iA-1z7mA:
27.79
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 269
GLY A 288
GLY A 306
 None
 0.61A 5e3iA-1z7mA:
23.7		 5e3iA-1z7mA:
27.79
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 269
TYR A 291
GLY A 306
 None
 1.03A 5e3iA-1z7mA:
23.7		 5e3iA-1z7mA:
27.79
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.
2a39 ENDOGLUCANASE I

(Humicola
insolens) 		PF00840
(Glyco_hydro_7) 		5 LEU A 112
TYR A 119
GLY A 155
TYR A 110
GLY A 170
 None
 1.20A 5e3iA-2a39A:
undetectable		 5e3iA-2a39A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 ARG A  19
LEU A 338
GLY A 115
GLY A 345
ALA A  50
 None
 1.17A 5e3iA-2d4eA:
2.7		 5e3iA-2d4eA:
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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 THR A 200
ARG A 103
TYR A 285
TYR A 286
TYR A 313
 None
 1.20A 5e3iA-2du7A:
17.8		 5e3iA-2du7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcz BETA-EXPANSIN 1A

(Zea mays) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		5 GLN X 243
TYR X  52
GLY X 172
TYR X  92
ALA X 169
 None
 1.25A 5e3iA-2hczX:
undetectable		 5e3iA-2hczX:
20.09
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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 GLU A 394
LEU A 264
TYR A 136
GLY A 258
ALA A 260
 None
PG4  A 801 ( 4.5A)
PG4  A 801 (-4.8A)
None
None
 1.18A 5e3iA-2hv2A:
undetectable		 5e3iA-2hv2A:
25.54
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 321
GLU A 340
TYR A 448
GLY A 475
GLY A 515
 NSS  A1550 (-2.9A)
None
None
NSS  A1550 ( 4.1A)
None
 1.01A 5e3iA-2xgtA:
14.3		 5e3iA-2xgtA:
22.15
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 GLU A 246
THR A 438
TYR A 420
TYR A 443
GLY A 440
 None
 1.24A 5e3iA-2yxlA:
undetectable		 5e3iA-2yxlA:
23.45
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 LEU E 139
TYR E 135
GLY E 114
GLY E  79
ALA E 112
 None
 1.00A 5e3iA-3aoeE:
undetectable		 5e3iA-3aoeE:
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 THR E 249
GLY E 230
TYR E 269
GLY E 227
ALA E 297
 None
 1.04A 5e3iA-3aoeE:
undetectable		 5e3iA-3aoeE:
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.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 THR A 168
ARG A 228
GLU A 171
GLY A 163
GLY A 165
 None
 1.24A 5e3iA-3cnyA:
undetectable		 5e3iA-3cnyA:
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A 125
THR A 127
GLN A 169
TYR A 317
GLY A 338
TYR A 341
GLY A 358
 None
 1.06A 5e3iA-3hriA:
31.1		 5e3iA-3hriA:
28.48
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 THR A 127
GLN A 169
TYR A 317
TYR A 318
GLY A 338
TYR A 341
GLY A 358
 None
 0.94A 5e3iA-3hriA:
31.1		 5e3iA-3hriA:
28.48
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 GLU D 214
GLU D 184
LEU D 171
GLY D 183
ALA D 185
 None
 1.21A 5e3iA-3m7nD:
undetectable		 5e3iA-3m7nD:
21.65
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLU A 176
THR A 614
GLY A 137
GLY A 135
ALA A 133
 None
 1.24A 5e3iA-3ne5A:
undetectable		 5e3iA-3ne5A:
17.54
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.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 100
ARG A 128
GLN A 142
TYR A 327
GLY A 343
 None
 0.74A 5e3iA-3netA:
27.7		 5e3iA-3netA:
28.11
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.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A 100
GLN A 142
TYR A 303
GLY A 324
TYR A 327
GLY A 343
 None
 0.75A 5e3iA-3netA:
27.7		 5e3iA-3netA:
28.11
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		6 THR A  83
ARG A 111
GLN A 125
GLU A 129
TYR A 274
TYR A 297
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
 1.28A 5e3iA-3od1A:
28.0		 5e3iA-3od1A:
25.65
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		7 THR A  83
ARG A 111
GLN A 125
GLU A 129
TYR A 275
TYR A 297
GLY A 312
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
None
 0.77A 5e3iA-3od1A:
28.0		 5e3iA-3od1A:
25.65
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		8 THR A  83
GLN A 125
GLU A 129
TYR A 274
TYR A 275
GLY A 294
TYR A 297
GLY A 312
 None
PEG  A 398 ( 4.2A)
None
None
None
None
None
None
 0.69A 5e3iA-3od1A:
28.0		 5e3iA-3od1A:
25.65
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		6 THR A  83
GLU A 129
TYR A 274
TYR A 275
GLY A 295
GLY A 312
 None
 1.42A 5e3iA-3od1A:
28.0		 5e3iA-3od1A:
25.65
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.
3pvt PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAA

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		5 ARG A 283
GLN A 276
TYR A 104
GLY A 270
GLY A 272
 None
 1.19A 5e3iA-3pvtA:
undetectable		 5e3iA-3pvtA:
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 ARG A 125
GLN A 145
GLU A 149
TYR A 310
GLY A 348
ALA A 350
 None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.46A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
LMR  A 401 ( 3.9A)
 1.50A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		8 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.91A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		10 GLU A  95
THR A  97
GLN A 145
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.44A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		10 GLU A  95
THR A  97
GLN A 145
GLU A 149
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.62A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 GLU A  95
THR A  97
GLN A 145
TYR A 310
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.37A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		7 THR A  97
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.14A 5e3iA-3racA:
25.9		 5e3iA-3racA:
24.01
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 LEU A 185
TYR A 186
GLY A 169
GLY A 167
ALA A 140
 None
 1.11A 5e3iA-3rysA:
undetectable		 5e3iA-3rysA:
25.00
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 GLU A 368
THR A 341
TYR A 176
GLY A 173
ALA A 171
 FDA  A 547 (-4.1A)
None
None
None
None
 1.21A 5e3iA-3v76A:
undetectable		 5e3iA-3v76A:
24.51
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.
3whi SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 LEU A 225
GLY A 217
TYR A 257
GLY A 256
ALA A 241
 None
 1.25A 5e3iA-3whiA:
3.5		 5e3iA-3whiA:
20.22
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.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 5 THR A 176
GLU A 126
GLY A 231
TYR A 200
GLY A 127
 AE3  A 900 ( 4.8A)
None
None
None
None
 1.08A 5e3iA-3wweA:
undetectable		 5e3iA-3wweA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dq8 ACETATE KINASE

(Mycobacterium
marinum) 		PF00871
(Acetate_kinase) 		5 GLU A 214
GLU A 223
LEU A 144
GLY A 167
GLY A 218
 None
 1.03A 5e3iA-4dq8A:
undetectable		 5e3iA-4dq8A:
22.95
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 GLN A  44
LEU A  95
GLY A 221
TYR A 168
GLY A 245
 None
PPY  A 401 (-4.1A)
None
PPY  A 401 (-3.8A)
PPY  A 401 (-3.6A)
 1.25A 5e3iA-4dqdA:
4.0		 5e3iA-4dqdA:
23.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 ARG A 120
GLN A 134
GLU A 138
LEU A 267
TYR A 270
TYR A 294
GLY A 310
ALA A 312
 HIS  A 501 (-4.5A)
HIS  A 501 (-3.4A)
HIS  A 501 (-2.7A)
None
HIS  A 501 (-4.5A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
HIS  A 501 ( 3.8A)
 1.44A 5e3iA-4e51A:
42.1		 5e3iA-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		12 GLU A  90
THR A  92
ARG A 120
GLN A 134
GLU A 138
LEU A 267
TYR A 269
TYR A 270
GLY A 291
TYR A 294
GLY A 310
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.4A)
HIS  A 501 (-2.7A)
None
None
HIS  A 501 (-4.5A)
HIS  A 501 ( 4.1A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
HIS  A 501 ( 3.8A)
 0.37A 5e3iA-4e51A:
42.1		 5e3iA-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 GLU A  90
THR A  92
GLU A 138
LEU A 267
TYR A 269
TYR A 270
GLY A 292
GLY A 310
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
HIS  A 501 (-2.7A)
None
None
HIS  A 501 (-4.5A)
None
HIS  A 501 (-3.3A)
 1.11A 5e3iA-4e51A:
42.1		 5e3iA-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A  90
TYR A 270
GLY A 310
TYR A 269
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
None
HIS  A 501 ( 3.8A)
 1.20A 5e3iA-4e51A:
42.1		 5e3iA-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 138
GLU A  90
TYR A 294
TYR A 269
ALA A  94
 HIS  A 501 (-2.7A)
HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
None
None
 0.87A 5e3iA-4e51A:
42.1		 5e3iA-4e51A:
47.78
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.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		5 GLU A 192
LEU A 220
TYR A 224
GLY A  46
ALA A  11
 None
None
None
None
ADP  A 302 (-3.4A)
 1.18A 5e3iA-4fe2A:
undetectable		 5e3iA-4fe2A:
21.48
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 232
TYR A  35
GLY A 187
TYR A 228
GLY A 141
 None
 1.21A 5e3iA-4hyqA:
undetectable		 5e3iA-4hyqA:
19.73
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 209
GLY A 199
TYR A  46
GLY A 197
ALA A 195
 None
 1.11A 5e3iA-4jb6A:
undetectable		 5e3iA-4jb6A:
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.
4p13 MEDIUM-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A  92
LEU A 365
GLY A 265
TYR A 372
GLY A 262
 None
 1.00A 5e3iA-4p13A:
undetectable		 5e3iA-4p13A:
23.35
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 THR A 132
ARG A 157
GLN A 173
LEU A 328
TYR A 330
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 HIS  A1001 (-3.6A)
HIS  A1001 (-3.6A)
HIS  A1001 (-3.0A)
HIS  A1001 (-4.9A)
None
HIS  A1001 (-4.7A)
HIS  A1001 (-3.6A)
HIS  A1001 (-4.6A)
HIS  A1001 (-3.7A)
 0.47A 5e3iA-4phcA:
34.1		 5e3iA-4phcA:
28.22
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A 132
LEU A 328
TYR A 330
TYR A 331
GLY A 361
GLY A 381
 HIS  A1001 (-3.6A)
HIS  A1001 (-4.9A)
None
HIS  A1001 (-4.7A)
None
HIS  A1001 (-3.7A)
 1.23A 5e3iA-4phcA:
34.1		 5e3iA-4phcA:
28.22
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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLU A  50
LEU A  25
GLY A  20
GLY A  18
ALA A  16
 None
 0.99A 5e3iA-4weoA:
undetectable		 5e3iA-4weoA:
22.75
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 GLU A 126
THR A 128
GLN A 170
LEU A 316
TYR A 318
TYR A 319
GLY A 339
TYR A 342
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.7A)
HIS  A 501 (-3.4A)
HIS  A 501 (-4.6A)
None
HIS  A 501 (-4.9A)
HIS  A 501 ( 4.3A)
HIS  A 501 (-4.6A)
HIS  A 501 (-3.5A)
 0.59A 5e3iA-4yrpA:
33.9		 5e3iA-4yrpA:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 126
THR A 128
GLN A 170
TYR A 318
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.7A)
HIS  A 501 (-3.4A)
None
HIS  A 501 (-3.5A)
 1.13A 5e3iA-4yrpA:
33.9		 5e3iA-4yrpA:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A 128
LEU A 316
TYR A 318
TYR A 319
GLY A 340
GLY A 359
 HIS  A 501 (-3.7A)
HIS  A 501 (-4.6A)
None
HIS  A 501 (-4.9A)
None
HIS  A 501 (-3.5A)
 1.27A 5e3iA-4yrpA:
33.9		 5e3iA-4yrpA:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLU A 130
TYR A 291
GLY A 292
GLY A 297
ALA A 167
 None
 1.20A 5e3iA-5dl5A:
undetectable		 5e3iA-5dl5A:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A  85
ARG A 115
GLN A 129
TYR A 265
GLY A 287
TYR A 290
GLY A 288
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
None
 1.49A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		12 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.03A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 GLU A  85
THR A  87
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 288
GLY A 309
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.03A 5e3iA-5e3iA:
56.6		 5e3iA-5e3iA:
100.00
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 THR A  19
GLN A 788
LEU A 427
GLY A 448
GLY A 370
 None
 1.15A 5e3iA-5hy7A:
undetectable		 5e3iA-5hy7A:
17.38
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLN A 103
TYR A 296
TYR A 278
GLY A 271
GLY A 269
 None
 1.20A 5e3iA-5jt8A:
undetectable		 5e3iA-5jt8A:
20.86
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 THR A 556
GLU A 555
LEU A 521
TYR A 525
GLY A 549
 None
 1.22A 5e3iA-5kh1A:
undetectable		 5e3iA-5kh1A:
21.22
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		5 THR A  78
GLN A 118
GLU A 122
GLY A 285
GLY A 306
 SR  A 401 (-3.4A)
MPD  A 407 (-4.2A)
None
MPD  A 406 ( 3.9A)
MPD  A 406 (-3.9A)
 1.00A 5e3iA-5m8hA:
24.9		 5e3iA-5m8hA:
25.58
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.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 230
TYR A  34
GLY A 186
TYR A 226
GLY A 140
 None
 1.12A 5e3iA-5malA:
2.2		 5e3iA-5malA:
19.62
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.
5ocm NAD_GLY3P_DH,
NAD-DEPENDENT
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Streptosporangium
roseum) 		no annotation 5 GLU A 284
GLN A 285
GLY A 273
GLY A 275
ALA A 269
 None
 1.25A 5e3iA-5ocmA:
2.8		 5e3iA-5ocmA:
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		5 GLU d  56
GLN d  60
LEU d  78
TYR d  82
GLY d 100
 None
 1.11A 5e3iA-5vhid:
undetectable		 5e3iA-5vhid:
22.50
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.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 219
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.29A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 173
GLN A 233
GLY A 488
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
None
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.13A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.86A 5e3iA-5w25A:
14.4		 5e3iA-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 GLN A 173
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 0.87A 5e3iA-5w6mA:
29.8		 5e3iA-5w6mA:
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 THR A 132
TYR A 330
TYR A 331
GLY A 360
TYR A 363
 None
 1.05A 5e3iA-5w6mA:
29.8		 5e3iA-5w6mA:
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 TYR A 330
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 0.67A 5e3iA-5w6mA:
29.8		 5e3iA-5w6mA:
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 GLU A  81
LEU A 369
TYR A 370
GLY A 233
TYR A  77
 None
 1.21A 5e3iA-5wgxA:
3.3		 5e3iA-5wgxA:
21.45
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.
5xya -

(-) 		no annotation 5 GLN A1156
TYR A1267
TYR A1210
GLY A1204
GLY A1160
 None
 1.21A 5e3iA-5xyaA:
2.6		 5e3iA-5xyaA:
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.
5ydg MULTIPLE ORGANELLAR
RNA EDITING FACTOR
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 GLU A 174
ARG A 184
GLY A 138
TYR A 108
GLY A 136
 None
 1.18A 5e3iA-5ydgA:
undetectable		 5e3iA-5ydgA:
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 ARG A 265
GLN A  95
GLU A 152
GLY A 349
GLY A 347
 None
 1.23A 5e3iA-5ydlA:
undetectable		 5e3iA-5ydlA:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLU A 305
GLN A 301
GLU A 645
GLY A 638
GLY A 641
 None
 1.16A 5e3iA-6fuyA:
undetectable		 5e3iA-6fuyA:
undetectable