SIMILAR PATTERNS OF AMINO ACIDS FOR 1HTT_B_HISB450

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
 1.04A 1httB-1b8aA:
14.5		 1httB-1b8aA:
22.31
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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
GLN A 231
GLU A 235
GLY A 486
GLY A 530
 AMO  A 831 (-3.0A)
AMO  A 831 (-3.2A)
None
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
 0.92A 1httB-1c0aA:
15.2		 1httB-1c0aA:
22.06
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.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 LEU A 112
TYR A 118
GLY A 154
TYR A 110
GLY A 169
 None
 1.19A 1httB-1eg1A:
undetectable		 1httB-1eg1A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 GLU A 167
TYR A 180
TYR A 188
GLY A 193
TYR A 183
 None
 1.10A 1httB-1f8rA:
2.0		 1httB-1f8rA:
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.
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
 1.14A 1httB-1ggmA:
23.7		 1httB-1ggmA:
25.10
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.
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)
 1.26A 1httB-1ggmA:
23.7		 1httB-1ggmA:
25.10
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 GLU A 454
ARG A 502
LEU A 160
TYR A 156
GLY A 487
 None
 1.26A 1httB-1h3gA:
undetectable		 1httB-1h3gA:
22.99
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
GLY B 285
TYR B 288
GLY B 304
 None
 0.65A 1httB-1h4vB:
32.6		 1httB-1h4vB:
42.73
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) 		6 GLU B  81
THR B  83
GLN B 126
GLU B 130
TYR B 264
TYR B 288
 None
 0.90A 1httB-1h4vB:
32.6		 1httB-1h4vB:
42.73
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
GLU B 130
ARG B 259
GLY B 285
TYR B 288
GLY B 304
 None
 1.10A 1httB-1h4vB:
32.6		 1httB-1h4vB:
42.73
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
ARG A 259
LEU A 261
TYR A 263
TYR A 264
GLY A 285
TYR A 288
GLY A 304
 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 ( 3.3A)
AMP  A 451 (-4.6A)
None
HIS  A 450 ( 4.6A)
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
 0.36A 1httB-1httA:
49.5		 1httB-1httA:
100.00
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) 		5 GLU A 131
THR A  85
GLU A  83
TYR A 288
TYR A 263
 HIS  A 450 ( 3.0A)
HIS  A 450 ( 3.2A)
HIS  A 450 ( 3.8A)
None
None
 1.22A 1httB-1httA:
49.5		 1httB-1httA:
100.00
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)
 1.13A 1httB-1httA:
49.5		 1httB-1httA:
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.
1ko6 NUCLEAR PORE COMPLEX
PROTEIN NUP98

(Homo sapiens) 		PF04096
(Nucleoporin2) 		5 LEU A 826
TYR A 831
TYR A 849
GLY A 854
GLY A 808
 None
 1.28A 1httB-1ko6A:
undetectable		 1httB-1ko6A:
17.94
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 THR A 646
GLU A 583
LEU A 598
GLY A 596
GLY A 582
 None
 1.21A 1httB-1lf9A:
undetectable		 1httB-1lf9A:
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.
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
 1.31A 1httB-1n60B:
undetectable		 1httB-1n60B:
20.52
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.
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
 1.17A 1httB-1ovwA:
undetectable		 1httB-1ovwA:
21.15
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) 		8 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
GLY A 286
TYR A 289
GLY A 305
 None
 0.79A 1httB-1qe0A:
32.7		 1httB-1qe0A:
38.55
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) 		8 THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
 None
 0.93A 1httB-1qe0A:
32.7		 1httB-1qe0A:
38.55
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) 		7 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 286
TYR A 289
GLY A 305
 None
 1.07A 1httB-1qe0A:
32.7		 1httB-1qe0A:
38.55
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) 		6 THR A  82
GLU A 130
ARG A 257
TYR A 262
GLY A 287
GLY A 305
 None
 1.27A 1httB-1qe0A:
32.7		 1httB-1qe0A:
38.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 1httB-1t3qA:
undetectable		 1httB-1t3qA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 GLU A 167
TYR A 180
TYR A 188
GLY A 193
TYR A 183
 None
 1.08A 1httB-1tdkA:
2.9		 1httB-1tdkA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 THR A 647
GLU A 575
LEU A 590
GLY A 588
GLY A 574
 None
 1.29A 1httB-1ulvA:
undetectable		 1httB-1ulvA:
18.07
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.
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
 0.61A 1httB-1usyC:
12.0		 1httB-1usyC:
23.32
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 ARG A 110
TYR A 269
TYR A 270
TYR A 293
GLY A 309
 None
 1.07A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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
ARG A 110
TYR A 293
GLY A 309
 None
 0.91A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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 GLU A  81
THR A  83
GLN A 124
GLY A 290
TYR A 293
GLY A 309
 None
 1.01A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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 THR A  83
ARG A 110
TYR A 270
TYR A 293
GLY A 309
 None
 0.93A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.91A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.80A 1httB-1wu7A:
32.5		 1httB-1wu7A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.98A 1httB-1x55A:
14.8		 1httB-1x55A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLU A 186
LEU A 190
TYR A 189
GLY A 163
GLY A 161
 None
None
None
None
SO4  A 329 (-3.3A)
 1.08A 1httB-1xa0A:
undetectable		 1httB-1xa0A:
25.61
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 ARG A 112
TYR A 268
TYR A 269
TYR A 291
GLY A 306
 None
 1.30A 1httB-1z7mA:
23.5		 1httB-1z7mA:
26.10
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		7 THR A  86
ARG A 112
GLN A 126
GLU A 130
TYR A 269
TYR A 291
GLY A 306
 None
 1.10A 1httB-1z7mA:
23.5		 1httB-1z7mA:
26.10
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		6 THR A  86
GLN A 126
GLU A 130
TYR A 269
GLY A 288
GLY A 306
 None
 0.69A 1httB-1z7mA:
23.5		 1httB-1z7mA:
26.10
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.
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
 1.13A 1httB-2a39A:
undetectable		 1httB-2a39A:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.14A 1httB-2du7A:
17.9		 1httB-2du7A:
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.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLU A  19
THR A 332
GLN A 302
GLY A 336
GLY A 338
 None
 1.30A 1httB-2r3vA:
undetectable		 1httB-2r3vA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		5 GLU A  23
GLU A  29
LEU A  20
TYR A 237
TYR A 204
 None
 1.32A 1httB-2vp3A:
undetectable		 1httB-2vp3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1httB-2xgtA:
14.5		 1httB-2xgtA:
20.00
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.
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
 1.20A 1httB-2yxlA:
undetectable		 1httB-2yxlA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.20A 1httB-3cnyA:
undetectable		 1httB-3cnyA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLU A 538
LEU A 982
GLY A 969
TYR A 981
GLY A 535
 None
 1.22A 1httB-3decA:
undetectable		 1httB-3decA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 ARG A 273
GLU A 101
LEU A 172
TYR A 175
GLY A 199
 None
FE  A 317 (-2.5A)
None
None
None
 1.20A 1httB-3ee4A:
undetectable		 1httB-3ee4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 1httB-3hriA:
31.0		 1httB-3hriA:
27.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 1httB-3hriA:
31.0		 1httB-3hriA:
27.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 261
LEU A 393
TYR A 389
TYR A 267
GLY A 225
 None
 1.31A 1httB-3iv0A:
undetectable		 1httB-3iv0A:
21.36
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.
3jty BENF-LIKE PORIN

(Pseudomonas
protegens) 		PF03573
(OprD) 		5 THR A 159
GLU A 140
LEU A 156
GLY A  90
GLY A 124
 None
 1.27A 1httB-3jtyA:
undetectable		 1httB-3jtyA:
23.63
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 227
GLU A 246
TYR A 351
GLY A 378
GLY A 418
 4AD  A 500 (-3.1A)
None
None
4AD  A 500 ( 4.3A)
None
 1.00A 1httB-3m4pA:
15.1		 1httB-3m4pA:
21.81
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.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 THR A 100
ARG A 128
GLN A 142
TYR A 303
GLY A 324
TYR A 327
GLY A 343
 None
 0.93A 1httB-3netA:
29.2		 1httB-3netA:
29.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 THR A 100
GLN A 205
GLU A 133
GLY A 289
GLY A  77
 OAE  A 376 ( 3.9A)
None
OAE  A 376 (-2.6A)
OAE  A 376 ( 4.5A)
OAE  A 376 ( 3.7A)
 1.30A 1httB-3nfbA:
undetectable		 1httB-3nfbA:
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.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		9 THR A  83
ARG A 111
GLN A 125
GLU A 129
TYR A 274
TYR A 275
GLY A 294
TYR A 297
GLY A 312
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
None
None
None
 0.82A 1httB-3od1A:
27.1		 1httB-3od1A:
28.32
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.
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
 1.43A 1httB-3od1A:
27.1		 1httB-3od1A:
28.32
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
 1.30A 1httB-3racA:
25.8		 1httB-3racA:
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.
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
ARG A 306
GLY A 330
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 0.95A 1httB-3racA:
25.8		 1httB-3racA:
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.
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
ARG A 306
TYR A 333
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 1.03A 1httB-3racA:
25.8		 1httB-3racA:
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
TYR A 310
TYR A 311
GLY A 330
GLY A 348
 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)
 0.57A 1httB-3racA:
25.8		 1httB-3racA:
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 GLU A  95
THR A  97
GLN A 145
GLU A 149
ARG A 306
TYR A 310
TYR A 311
TYR A 333
GLY A 348
 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)
 0.71A 1httB-3racA:
25.8		 1httB-3racA:
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
 0.46A 1httB-3racA:
25.8		 1httB-3racA:
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 THR A  97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
 LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
 0.63A 1httB-3racA:
25.8		 1httB-3racA:
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.
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)
 1.17A 1httB-3racA:
25.8		 1httB-3racA:
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 GLN A 523
ARG A 474
TYR A 597
GLY A 431
GLY A 409
 None
 1.30A 1httB-3vsvA:
undetectable		 1httB-3vsvA:
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 GLU A 534
ARG A 552
GLY A 527
TYR A 564
GLY A 531
 None
 1.22A 1httB-3vu2A:
undetectable		 1httB-3vu2A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 1httB-3wweA:
undetectable		 1httB-3wweA:
22.00
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
ARG A 265
LEU A 267
TYR A 269
TYR A 270
GLY A 291
TYR A 294
GLY A 310
 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)
HIS  A 501 (-3.8A)
None
None
HIS  A 501 (-4.5A)
HIS  A 501 ( 4.1A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
 0.57A 1httB-4e51A:
40.3		 1httB-4e51A:
51.07
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
THR A  92
GLN A 134
TYR A 269
GLY A 291
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
HIS  A 501 (-3.4A)
None
HIS  A 501 ( 4.1A)
 1.19A 1httB-4e51A:
40.3		 1httB-4e51A:
51.07
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)
 1.17A 1httB-4e51A:
40.3		 1httB-4e51A:
51.07
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		5 GLU A 142
LEU A 475
TYR A 457
GLY A 136
GLY A 141
 None
None
DPF  A 601 (-3.2A)
DPF  A 601 (-3.4A)
None
 1.28A 1httB-4fnmA:
undetectable		 1httB-4fnmA:
22.64
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.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 THR A  94
LEU A 117
TYR A 121
GLY A  51
GLY A  90
 None
 1.21A 1httB-4hqnA:
4.0		 1httB-4hqnA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 1httB-4hyqA:
2.2		 1httB-4hyqA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 THR A  79
TYR A  35
GLY A 187
TYR A 228
GLY A 141
 None
 1.28A 1httB-4hyqA:
2.2		 1httB-4hyqA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		10 THR A 132
ARG A 157
GLN A 173
ARG A 326
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 (-3.6A)
HIS  A1001 (-4.9A)
None
HIS  A1001 (-4.7A)
HIS  A1001 (-3.6A)
HIS  A1001 (-4.6A)
HIS  A1001 (-3.7A)
 0.53A 1httB-4phcA:
33.3		 1httB-4phcA:
28.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.24A 1httB-4phcA:
33.3		 1httB-4phcA:
28.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		5 THR A 192
ARG A 417
LEU A 414
TYR A 410
GLY A 303
 None
 1.30A 1httB-4pu5A:
undetectable		 1httB-4pu5A:
21.33
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.
4v19 MITORIBOSOMAL
PROTEIN BL28M,
MRPL28

(Sus scrofa) 		PF00830
(Ribosomal_L28) 		5 THR 1 148
ARG 1 130
LEU 1 134
TYR 1 144
GLY 1  82
 None
 1.23A 1httB-4v191:
undetectable		 1httB-4v191:
21.36
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 GLU A 842
ARG A 768
LEU A 844
TYR A 769
GLY A 836
 None
 1.29A 1httB-4w8jA:
undetectable		 1httB-4w8jA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 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
GLN A 170
ARG A 314
GLY A 339
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.4A)
None
HIS  A 501 ( 4.3A)
HIS  A 501 (-3.5A)
 1.11A 1httB-4yrpA:
32.9		 1httB-4yrpA:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.65A 1httB-4yrpA:
32.9		 1httB-4yrpA:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 GLU A 126
THR A 128
GLN A 170
LEU A 316
TYR A 318
TYR A 319
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 (-3.5A)
 1.40A 1httB-4yrpA:
32.9		 1httB-4yrpA:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 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 THR A 128
LEU A 316
TYR A 318
GLY A 340
GLY A 359
 HIS  A 501 (-3.7A)
HIS  A 501 (-4.6A)
None
None
HIS  A 501 (-3.5A)
 1.24A 1httB-4yrpA:
32.9		 1httB-4yrpA:
27.88
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) 		6 GLU A  85
ARG A 115
GLN A 129
ARG A 261
LEU A 263
GLY A 287
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
HIS  A 502 ( 3.8A)
 0.87A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
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) 		11 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
 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)
 0.34A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
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) 		5 GLU A  85
THR A  87
GLN A 129
TYR A 265
GLY A 287
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
 1.19A 1httB-5e3iA:
42.0		 1httB-5e3iA:
55.68
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)
 1.09A 1httB-5e3iA:
42.0		 1httB-5e3iA:
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLU L 210
THR L  92
LEU L 214
GLY L 166
GLY L 459
 None
 1.23A 1httB-5jfcL:
3.2		 1httB-5jfcL:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 1httB-5kh1A:
undetectable		 1httB-5kh1A:
21.54
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.
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
 1.11A 1httB-5malA:
2.9		 1httB-5malA:
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.
5nr4 CLIP-ASSOCIATING
PROTEIN 2

(Homo sapiens) 		no annotation 5 GLU A  43
LEU A  82
TYR A  89
GLY A  50
GLY A  47
 None
 1.30A 1httB-5nr4A:
undetectable		 1httB-5nr4A:
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.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		5 THR X 148
ARG X 130
LEU X 134
TYR X 144
GLY X  82
 None
 1.08A 1httB-5oomX:
undetectable		 1httB-5oomX:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		5 GLU A 167
TYR A 180
TYR A 188
GLY A 193
TYR A 183
 None
 1.19A 1httB-5ts5A:
2.5		 1httB-5ts5A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.03A 1httB-5vhid:
undetectable		 1httB-5vhid:
22.01
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 6 THR A 132
GLN A 173
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 1.07A 1httB-5w6mA:
31.2		 1httB-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 6 THR A 132
TYR A 330
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 0.91A 1httB-5w6mA:
31.2		 1httB-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
 1.26A 1httB-5wgxA:
3.3		 1httB-5wgxA:
22.31
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.
5xya -

(-) 		no annotation 5 GLN A1156
TYR A1267
TYR A1210
GLY A1204
GLY A1160
 None
 1.26A 1httB-5xyaA:
3.2		 1httB-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
 1.25A 1httB-5ydgA:
undetectable		 1httB-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
 1.24A 1httB-5ydlA:
undetectable		 1httB-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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 5 GLU A 186
TYR A 199
TYR A 207
GLY A 212
TYR A 202
 None
 1.13A 1httB-5z2gA:
2.5		 1httB-5z2gA:
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
 1.07A 1httB-6fuyA:
undetectable		 1httB-6fuyA:
undetectable