SIMILAR PATTERNS OF AMINO ACIDS FOR 1HTT_D_HISD450

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
 1.11A 1httD-1b8aA:
13.4		 1httD-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
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)
 0.50A 1httD-1c0aA:
14.5		 1httD-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.
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
 1.05A 1httD-1ggmA:
23.7		 1httD-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)
 1.19A 1httD-1ggmA:
23.7		 1httD-1ggmA:
25.10
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 GLN B 126
TYR B 264
GLY B 285
GLY B 304
ALA B 306
 None
 0.97A 1httD-1h4vB:
32.6		 1httD-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
GLN B 126
GLU B 130
GLY B 285
GLY B 304
ALA B 306
 None
 0.67A 1httD-1h4vB:
32.6		 1httD-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
ALA B 306
 None
 0.91A 1httD-1h4vB:
32.6		 1httD-1h4vB:
42.73
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.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		5 THR A 867
LEU A 924
GLY A 896
GLY A 883
ALA A 840
 None
 1.29A 1httD-1hq0A:
undetectable		 1httD-1hq0A:
22.52
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
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 ( 3.3A)
AMP  A 451 (-4.6A)
None
HIS  A 450 ( 4.6A)
HIS  A 450 ( 3.8A)
HIS  A 450 ( 4.2A)
HIS  A 450 ( 4.0A)
 0.30A 1httD-1httA:
49.6		 1httD-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) 		8 GLU A  83
THR A  85
GLU A 131
LEU A 261
TYR A 263
TYR A 264
GLY A 286
GLY A 304
 HIS  A 450 ( 3.8A)
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)
 1.04A 1httD-1httA:
49.6		 1httD-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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 THR A 230
LEU A 249
GLY A 236
GLY A 234
ALA A 212
 None
 1.02A 1httD-1krmA:
undetectable		 1httD-1krmA:
22.61
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.
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
 1.18A 1httD-1lf9A:
undetectable		 1httD-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 SMALL
CHAIN
CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans;
Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR A 106
ARG B  27
TYR B  40
GLY B  38
GLY B  36
 None
 1.24A 1httD-1n60A:
undetectable		 1httD-1n60A:
17.90
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 LEU A 110
TYR A 117
GLY A 153
GLY A 170
ALA A 163
 None
None
None
None
PCA  A   1 ( 4.3A)
 1.18A 1httD-1ovwA:
undetectable		 1httD-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) 		5 GLU A  80
ARG A 112
GLN A 126
GLY A 285
ALA A 307
 None
 1.20A 1httD-1qe0A:
32.7		 1httD-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 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
GLY A 286
GLY A 305
ALA A 307
 None
 0.80A 1httD-1qe0A:
32.7		 1httD-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
GLY A 305
ALA A 307
 None
 1.00A 1httD-1qe0A:
32.7		 1httD-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 286
GLY A 305
 None
 1.19A 1httD-1qe0A:
32.7		 1httD-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
 1.28A 1httD-1qe0A:
32.7		 1httD-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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		5 GLU A 117
LEU A  99
TYR A 108
GLY A  80
GLY A 116
 None
 1.27A 1httD-1sp3A:
undetectable		 1httD-1sp3A:
17.55
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
 1.18A 1httD-1t3qA:
undetectable		 1httD-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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		5 THR A 233
LEU A 252
GLY A 239
GLY A 237
ALA A 215
 None
 1.07A 1httD-1uioA:
undetectable		 1httD-1uioA:
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.
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
 1.25A 1httD-1ulvA:
undetectable		 1httD-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) 		6 THR C  55
GLN C  92
GLU C  96
TYR C 234
GLY C 253
GLY C 265
 None
 0.63A 1httD-1usyC:
16.3		 1httD-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 GLU A  81
THR A  83
GLN A 124
GLY A 290
GLY A 309
 None
 1.03A 1httD-1wu7A:
32.6		 1httD-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
GLN A 124
TYR A 270
GLY A 290
GLY A 309
 None
 0.96A 1httD-1wu7A:
32.6		 1httD-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)
 1.03A 1httD-1x55A:
14.8		 1httD-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)
 1.23A 1httD-1xa0A:
undetectable		 1httD-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 GLU A 130
TYR A 268
TYR A 269
GLY A 288
GLY A 306
 None
 0.77A 1httD-1z7mA:
23.5		 1httD-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) 		5 THR A  86
GLU A 130
TYR A 269
GLY A 288
GLY A 306
 None
 0.60A 1httD-1z7mA:
23.5		 1httD-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) 		5 THR A  86
GLU A 130
TYR A 269
GLY A 289
GLY A 306
 None
 1.29A 1httD-1z7mA:
23.5		 1httD-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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 THR A 576
LEU A 581
GLY A 572
GLY A 631
ALA A 469
 None
 1.31A 1httD-1zjkA:
undetectable		 1httD-1zjkA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a6r TOXIN YOEB

(Escherichia
coli) 		PF06769
(YoeB_toxin) 		5 THR A  34
LEU A  66
TYR A  68
GLY A  43
GLY A  41
 None
 1.22A 1httD-2a6rA:
undetectable		 1httD-2a6rA:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 1httD-2d4eA:
3.2		 1httD-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.
2hdi COLICIN I RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A  36
GLN A  42
ARG A 397
LEU A 143
ALA A  47
 None
 1.27A 1httD-2hdiA:
undetectable		 1httD-2hdiA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdi COLICIN I RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A  36
GLN A  42
ARG A 397
LEU A 143
TYR A 144
 None
 1.21A 1httD-2hdiA:
undetectable		 1httD-2hdiA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qj6 TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		5 THR A 256
ARG A 271
LEU A 273
TYR A 250
TYR A 268
 THR  A 256 ( 0.8A)
ARG  A 271 ( 0.6A)
LEU  A 273 ( 0.5A)
TYR  A 250 ( 1.3A)
TYR  A 268 ( 1.3A)
 1.28A 1httD-2qj6A:
undetectable		 1httD-2qj6A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1httD-2r3vA:
undetectable		 1httD-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.
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
 1.06A 1httD-2xgtA:
14.5		 1httD-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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLU A  84
THR A  92
TYR A 439
GLY A 325
ALA A 330
 None
 1.26A 1httD-2xijA:
7.2		 1httD-2xijA:
21.42
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.
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
 1.22A 1httD-2yxlA:
undetectable		 1httD-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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 LEU E 139
TYR E 135
GLY E 114
GLY E  79
ALA E 112
 None
 1.12A 1httD-3aoeE:
undetectable		 1httD-3aoeE:
24.32
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.
3ca8 PROTEIN YDCF

(Escherichia
coli) 		PF02698
(DUF218) 		5 ARG A 158
GLN A 151
GLU A  98
GLY A  69
ALA A  43
 SO4  A 802 (-3.1A)
None
None
None
None
 1.17A 1httD-3ca8A:
undetectable		 1httD-3ca8A:
21.55
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.
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
 1.22A 1httD-3cnyA:
undetectable		 1httD-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.
3eqx FIC DOMAIN
CONTAINING
TRANSCRIPTIONAL
REGULATOR

(Shewanella
oneidensis) 		PF02661
(Fic)
PF13784
(Fic_N) 		5 GLU A  65
LEU A 106
TYR A 102
GLY A 208
GLY A 205
 None
 1.17A 1httD-3eqxA:
undetectable		 1httD-3eqxA:
25.33
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 GLU A 125
THR A 127
GLN A 169
TYR A 317
GLY A 338
GLY A 358
 None
 0.95A 1httD-3hriA:
31.2		 1httD-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) 		6 THR A 127
GLN A 169
TYR A 317
TYR A 318
GLY A 338
GLY A 358
 None
 0.84A 1httD-3hriA:
31.2		 1httD-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.
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
 1.06A 1httD-3m4pA:
15.1		 1httD-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.
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
 1.21A 1httD-3ne5A:
undetectable		 1httD-3ne5A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A 100
ARG A 128
GLN A 142
TYR A 303
GLY A 324
GLY A 343
 None
 1.04A 1httD-3netA:
29.2		 1httD-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.
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
GLY A 294
GLY A 312
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
None
 0.73A 1httD-3od1A:
27.2		 1httD-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) 		7 THR A  83
GLN A 125
GLU A 129
TYR A 274
TYR A 275
GLY A 294
GLY A 312
 None
PEG  A 398 ( 4.2A)
None
None
None
None
None
 0.69A 1httD-3od1A:
27.2		 1httD-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
 1.38A 1httD-3od1A:
27.2		 1httD-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) 		8 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
GLY A 330
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 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.89A 1httD-3racA:
25.9		 1httD-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) 		11 GLU A  95
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
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
None
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.56A 1httD-3racA:
25.9		 1httD-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
GLU A 149
LEU A 308
TYR A 310
TYR A 311
GLY A 331
GLY A 348
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
None
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.08A 1httD-3racA:
25.9		 1httD-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.
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
 1.25A 1httD-3v76A:
undetectable		 1httD-3v76A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 399
TYR A 307
TYR A 413
GLY A 415
ALA A 417
 None
AMP  A 601 (-4.9A)
AMP  A 601 (-3.4A)
None
None
 1.28A 1httD-3vnsA:
2.7		 1httD-3vnsA:
23.12
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.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 251
TYR A 275
GLY A 194
GLY A 192
ALA A 196
 None
 1.27A 1httD-4a27A:
2.1		 1httD-4a27A:
20.70
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
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)
HIS  A 501 (-3.8A)
None
None
HIS  A 501 (-4.5A)
HIS  A 501 ( 4.1A)
HIS  A 501 (-3.3A)
HIS  A 501 ( 3.8A)
 0.54A 1httD-4e51A:
40.4		 1httD-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) 		6 GLU A  90
THR A  92
GLN A 134
TYR A 269
GLY A 291
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
HIS  A 501 (-3.4A)
None
HIS  A 501 ( 4.1A)
HIS  A 501 ( 3.8A)
 1.33A 1httD-4e51A:
40.4		 1httD-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)
 1.08A 1httD-4e51A:
40.4		 1httD-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.
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)
 1.20A 1httD-4fe2A:
undetectable		 1httD-4fe2A:
22.33
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.
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
 1.26A 1httD-4hqnA:
4.0		 1httD-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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 THR A 132
ARG A 157
GLN A 173
ARG A 326
LEU A 328
TYR A 330
TYR A 331
GLY A 360
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 (-3.7A)
 0.58A 1httD-4phcA:
33.4		 1httD-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)
 1.15A 1httD-4phcA:
33.4		 1httD-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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLU A  50
THR A  47
GLY A  20
GLY A  15
ALA A  24
 None
 1.12A 1httD-4weoA:
3.0		 1httD-4weoA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 5 GLU A  67
LEU A 116
TYR A 126
GLY A  98
GLY A  96
 None
 1.19A 1httD-4xlyA:
undetectable		 1httD-4xlyA:
23.98
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 THR A 456
ARG A 268
ARG A 401
GLY A 435
ALA A 405
 None
SO4  A 809 ( 3.1A)
SO4  A 809 (-2.9A)
None
None
 1.04A 1httD-4y9vA:
undetectable		 1httD-4y9vA:
21.73
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 GLU A 126
GLN A 170
ARG A 314
LEU A 316
GLY A 339
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.4A)
None
HIS  A 501 (-4.6A)
HIS  A 501 ( 4.3A)
HIS  A 501 (-3.5A)
 1.10A 1httD-4yrpA:
33.0		 1httD-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 GLU A 126
GLN A 170
LEU A 316
TYR A 318
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.4A)
HIS  A 501 (-4.6A)
None
HIS  A 501 (-3.5A)
 1.01A 1httD-4yrpA:
33.0		 1httD-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) 		8 GLU A 126
THR A 128
GLN A 170
LEU A 316
TYR A 318
TYR A 319
GLY A 339
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 (-3.5A)
 0.67A 1httD-4yrpA:
33.0		 1httD-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) 		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)
 1.25A 1httD-4yrpA:
33.0		 1httD-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.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		5 GLU A 219
LEU A  70
GLY A 153
GLY A 198
ALA A 193
 CA  A 501 (-2.2A)
None
None
None
None
 1.19A 1httD-4zg8A:
undetectable		 1httD-4zg8A:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLU A 130
TYR A 291
GLY A 292
GLY A 297
ALA A 167
 None
 1.24A 1httD-5dl5A:
undetectable		 1httD-5dl5A:
19.78
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
ARG A 115
GLN A 129
ARG A 261
LEU A 263
TYR A 265
GLY A 287
ALA A 311
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 0.70A 1httD-5e3iA:
42.0		 1httD-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
ARG A 115
GLN A 129
TYR A 265
GLY A 288
 HIS  A 502 (-3.8A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
None
None
 1.31A 1httD-5e3iA:
42.0		 1httD-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
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 (-3.5A)
HIS  A 502 (-3.8A)
 0.32A 1httD-5e3iA:
42.0		 1httD-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) 		6 GLU A  85
THR A  87
GLN A 129
TYR A 265
GLY A 287
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 1.38A 1httD-5e3iA:
42.0		 1httD-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)
 1.00A 1httD-5e3iA:
42.0		 1httD-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.
5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA

(Homo sapiens;
Arcobacter
butzleri) 		PF00520
(Ion_trans) 		5 THR A1672
LEU A1690
GLY A1656
GLY A1664
ALA A1651
 None
 1.24A 1httD-5ek0A:
undetectable		 1httD-5ek0A:
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG C 647
LEU C 648
TYR C 650
GLY B 143
ALA B 140
 None
None
None
None
SF4  B 320 ( 4.0A)
 1.21A 1httD-5g5gC:
undetectable		 1httD-5g5gC:
21.53
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.
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
 1.11A 1httD-5hy7A:
undetectable		 1httD-5hy7A:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 1httD-5jt8A:
undetectable		 1httD-5jt8A:
22.32
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.
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
 1.28A 1httD-5kh1A:
undetectable		 1httD-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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 THR A  84
LEU A  49
GLY A 162
GLY A 276
ALA A 142
 None
 1.11A 1httD-5mg5A:
undetectable		 1httD-5mg5A:
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.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 THR A 828
LEU A 796
GLY A 791
GLY A 788
ALA A 786
 None
None
NAP  A1201 (-3.8A)
NAP  A1201 (-3.2A)
None
 1.27A 1httD-5msoA:
undetectable		 1httD-5msoA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1httD-5ocmA:
3.2		 1httD-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.
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
 1.12A 1httD-5oomX:
undetectable		 1httD-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.
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
 0.94A 1httD-5vhid:
undetectable		 1httD-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.
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)
 0.44A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
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.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 173
ARG A 227
GLN A 233
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
None
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.06A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
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.
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)
 0.88A 1httD-5w25A:
14.6		 1httD-5w25A:
23.00
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.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 THR A 132
TYR A 330
TYR A 331
GLY A 360
GLY A 381
 None
 0.95A 1httD-5w6mA:
31.4		 1httD-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.
5xya -

(-) 		no annotation 5 GLN A1156
TYR A1267
TYR A1210
GLY A1204
GLY A1160
 None
 1.20A 1httD-5xyaA:
3.2		 1httD-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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 ARG A 265
GLN A  95
GLU A 152
GLY A 349
GLY A 347
 None
 1.22A 1httD-5ydlA:
undetectable		 1httD-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.
6ehe OMPT PROTEIN

(Vibrio cholerae) 		no annotation 5 GLU A 150
LEU A 108
TYR A 215
GLY A 111
ALA A 116
 None
 1.17A 1httD-6eheA:
undetectable		 1httD-6eheA:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLU A 543
LEU A 471
TYR A 352
GLY A 247
GLY A 229
 FAD  A 601 (-3.9A)
None
None
None
FAD  A 601 ( 4.0A)
 1.25A 1httD-6f74A:
undetectable		 1httD-6f74A:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLU A 543
LEU A 471
TYR A 352
GLY A 247
GLY A 230
 FAD  A 601 (-3.9A)
None
None
None
FAD  A 601 (-3.6A)
 1.19A 1httD-6f74A:
undetectable		 1httD-6f74A:
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
 1.06A 1httD-6fuyA:
undetectable		 1httD-6fuyA:
undetectable