SIMILAR PATTERNS OF AMINO ACIDS FOR 1HTT_C_HISC450_0

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.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLN A 231
GLU A 235
GLY A 486
GLY A 530
ALA A 532
 AMO  A 831 (-3.2A)
None
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
AMO  A 831 (-3.5A)
 0.86A 1httC-1c0aA:
14.2		 1httC-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.
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
 1.27A 1httC-1h3gA:
undetectable		 1httC-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) 		6 GLN B 126
TYR B 264
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 1.13A 1httC-1h4vB:
34.0		 1httC-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) 		8 GLU B  81
THR B  83
GLN B 126
GLU B 130
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.64A 1httC-1h4vB:
34.0		 1httC-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
TYR B 264
TYR B 288
ALA B 306
 None
 0.80A 1httC-1h4vB:
34.0		 1httC-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 THR B  83
GLU B 130
ARG B 259
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.98A 1httC-1h4vB:
34.0		 1httC-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
 1.30A 1httC-1hq0A:
undetectable		 1httC-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
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
ALA A 306
 HIS  A 450 ( 3.8A)
HIS  A 450 ( 3.2A)
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)
HIS  A 450 ( 4.0A)
 0.30A 1httC-1httA:
51.7		 1httC-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)
 1.11A 1httC-1httA:
51.7		 1httC-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
 1.31A 1httC-1ko6A:
undetectable		 1httC-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.
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
 1.01A 1httC-1krmA:
undetectable		 1httC-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.
1pto PERTUSSIS TOXIN

(Bordetella
pertussis) 		PF02918
(Pertussis_S2S3)
PF03440
(APT) 		5 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.91A 1httC-1ptoC:
undetectable		 1httC-1ptoC:
17.97
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
GLN A 126
TYR A 262
GLY A 286
ALA A 307
 None
 1.25A 1httC-1qe0A:
33.7		 1httC-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
GLN A 126
GLU A 130
GLY A 286
TYR A 289
GLY A 305
ALA A 307
 None
 0.82A 1httC-1qe0A:
33.7		 1httC-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
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
 None
 0.88A 1httC-1qe0A:
33.7		 1httC-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
GLU A 130
ARG A 257
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
 None
 1.03A 1httC-1qe0A:
33.7		 1httC-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
 1.25A 1httC-1qe0A:
33.7		 1httC-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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 GLN C  92
GLU C  96
TYR C 234
TYR C 256
GLY C 265
 None
 1.29A 1httC-1usyC:
16.3		 1httC-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.
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
 0.57A 1httC-1usyC:
16.3		 1httC-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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		5 GLU A 144
ARG A  70
TYR A  71
GLY A  46
GLY A  48
 EPE  A1716 (-3.1A)
EPE  A1716 (-3.4A)
EPE  A1716 (-3.2A)
EPE  A1716 (-3.1A)
EPE  A1716 (-4.1A)
 1.13A 1httC-1veyA:
undetectable		 1httC-1veyA:
17.02
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.
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
 1.04A 1httC-1wu7A:
32.8		 1httC-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
 1.03A 1httC-1wu7A:
32.8		 1httC-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
 0.87A 1httC-1wu7A:
32.8		 1httC-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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLN A 153
LEU A 731
GLY A 804
TYR A 756
GLY A 753
 None
 1.27A 1httC-1xc6A:
undetectable		 1httC-1xc6A:
18.49
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.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLN A 126
GLU A 130
GLY A 288
GLY A 306
 None
 0.53A 1httC-1z7mA:
23.8		 1httC-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
GLN A 126
GLU A 130
TYR A 291
GLY A 306
 None
 1.00A 1httC-1z7mA:
23.8		 1httC-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
 0.62A 1httC-1z7mA:
23.8		 1httC-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
TYR A 291
GLY A 306
 None
 1.15A 1httC-1z7mA:
23.8		 1httC-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.
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
 1.18A 1httC-2hdiA:
undetectable		 1httC-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.
2pl2 HYPOTHETICAL
CONSERVED PROTEIN
TTC0263

(Thermus
thermophilus) 		PF13429
(TPR_15)
PF14559
(TPR_19) 		5 GLU A 105
LEU A  74
GLY A  86
TYR A  67
GLY A  99
 None
 1.18A 1httC-2pl2A:
undetectable		 1httC-2pl2A:
20.98
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.
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 1httC-2qj6A:
undetectable		 1httC-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.
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
 1.27A 1httC-2yxlA:
undetectable		 1httC-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
 1.06A 1httC-3aoeE:
2.5		 1httC-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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 THR E 249
GLY E 230
TYR E 269
GLY E 227
ALA E 297
 None
 0.98A 1httC-3aoeE:
2.5		 1httC-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.
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 1httC-3eqxA:
undetectable		 1httC-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.
3fdb PUTATIVE
PLP-DEPENDENT
BETA-CYSTATHIONASE

(Corynebacterium
diphtheriae) 		PF00155
(Aminotran_1_2) 		5 THR A 216
GLU A 189
GLY A 205
TYR A  70
ALA A 203
 None
 1.28A 1httC-3fdbA:
undetectable		 1httC-3fdbA:
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.
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
 0.94A 1httC-3hriA:
31.4		 1httC-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 GLU A 125
THR A 127
GLN A 169
TYR A 317
TYR A 341
GLY A 358
 None
 1.05A 1httC-3hriA:
31.4		 1httC-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
 0.86A 1httC-3hriA:
31.4		 1httC-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
TYR A 341
GLY A 358
 None
 1.06A 1httC-3hriA:
31.4		 1httC-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
 1.26A 1httC-3iv0A:
undetectable		 1httC-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.
3k8i 30KLP

(Treponema
pallidum) 		no annotation 5 GLU A  92
ARG A 161
GLY A  41
GLY A  43
ALA A  85
 None
 1.31A 1httC-3k8iA:
undetectable		 1httC-3k8iA:
19.76
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 THR A 314
LEU A 427
TYR A 393
GLY A 373
ALA A 371
 None
 1.02A 1httC-3ldrA:
undetectable		 1httC-3ldrA:
21.91
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 208
GLU A 201
TYR A 452
GLY A 387
TYR A 457
 None
 1.07A 1httC-3mogA:
2.7		 1httC-3mogA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.26A 1httC-3ne5A:
undetectable		 1httC-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
GLN A 142
TYR A 303
GLY A 324
TYR A 327
GLY A 343
 None
 0.78A 1httC-3netA:
29.6		 1httC-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) 		8 THR A  83
GLN A 125
GLU A 129
TYR A 274
TYR A 275
GLY A 294
TYR A 297
GLY A 312
 None
PEG  A 398 ( 4.2A)
None
None
None
None
None
None
 0.69A 1httC-3od1A:
27.6		 1httC-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
 1.41A 1httC-3od1A:
27.6		 1httC-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) 		6 GLU A  95
GLN A 145
TYR A 310
TYR A 333
GLY A 330
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-4.1A)
LMR  A 401 (-3.5A)
LMR  A 401 ( 3.9A)
 1.42A 1httC-3racA:
26.3		 1httC-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)
 0.52A 1httC-3racA:
26.3		 1httC-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
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
None
None
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.71A 1httC-3racA:
26.3		 1httC-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)
 1.11A 1httC-3racA:
26.3		 1httC-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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 LEU A 185
TYR A 186
GLY A 169
GLY A 167
ALA A 140
 None
 1.17A 1httC-3rysA:
undetectable		 1httC-3rysA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.23A 1httC-3v76A:
undetectable		 1httC-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
 1.31A 1httC-3vnsA:
2.8		 1httC-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.
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
 1.18A 1httC-3vu2A:
undetectable		 1httC-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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		5 GLU A  48
LEU A  23
GLY A  18
GLY A  16
ALA A  14
 None
 1.04A 1httC-3wtcA:
3.1		 1httC-3wtcA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.12A 1httC-3wweA:
undetectable		 1httC-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
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
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
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)
HIS  A 501 ( 3.8A)
 0.54A 1httC-4e51A:
41.5		 1httC-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)
 1.14A 1httC-4e51A:
41.5		 1httC-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
TYR A 270
GLY A 310
TYR A 269
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
None
HIS  A 501 ( 3.8A)
 1.21A 1httC-4e51A:
41.5		 1httC-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 138
GLU A  90
TYR A 294
TYR A 269
ALA A  94
 HIS  A 501 (-2.7A)
HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
None
None
 0.99A 1httC-4e51A:
41.5		 1httC-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 THR A  92
GLN A 134
TYR A 269
GLY A 291
ALA A 312
 HIS  A 501 (-3.5A)
HIS  A 501 (-3.4A)
None
HIS  A 501 ( 4.1A)
HIS  A 501 ( 3.8A)
 1.21A 1httC-4e51A:
41.5		 1httC-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)
 1.16A 1httC-4fe2A:
undetectable		 1httC-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
 1.27A 1httC-4hqnA:
3.1		 1httC-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
 1.22A 1httC-4hyqA:
2.1		 1httC-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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		5 GLN A 238
LEU A 125
GLY A 103
GLY A 107
ALA A 130
 None
 1.17A 1httC-4lxiA:
2.8		 1httC-4lxiA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		5 GLU A 228
GLY A  20
TYR A  29
GLY A 218
ALA A 222
 None
 1.25A 1httC-4nmyA:
undetectable		 1httC-4nmyA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		9 THR A 132
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 (-3.0A)
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)
 0.46A 1httC-4phcA:
33.6		 1httC-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)
 1.20A 1httC-4phcA:
33.6		 1httC-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
 1.27A 1httC-4pu5A:
undetectable		 1httC-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.
4weo PUTATIVE
ACETOIN(DIACETYL)
REDUCTASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 GLU A  50
LEU A  25
GLY A  20
GLY A  18
ALA A  16
 None
 1.03A 1httC-4weoA:
3.0		 1httC-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.
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 1httC-4weoA:
3.0		 1httC-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
 1.24A 1httC-4xlyA:
undetectable		 1httC-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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 GLU A 126
THR A 128
GLN A 170
LEU A 316
TYR A 318
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 (-3.5A)
 1.13A 1httC-4yrpA:
33.6		 1httC-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)
 0.60A 1httC-4yrpA:
33.6		 1httC-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)
 1.28A 1httC-4yrpA:
33.6		 1httC-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.
5cfa BONE
SIALOPROTEIN-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 THR A 312
GLN A 175
TYR A 205
GLY A 196
GLY A 209
 None
 1.28A 1httC-5cfaA:
undetectable		 1httC-5cfaA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLU A 130
TYR A 291
GLY A 292
GLY A 297
ALA A 167
 None
 1.23A 1httC-5dl5A:
undetectable		 1httC-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) 		5 GLN A 129
ARG A 261
LEU A 263
GLY A 287
ALA A 311
 HIS  A 502 ( 3.1A)
ATP  A 501 (-2.8A)
None
HIS  A 502 ( 3.8A)
HIS  A 502 (-3.8A)
 0.88A 1httC-5e3iA:
43.7		 1httC-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
GLN A 129
TYR A 265
TYR A 290
GLY A 288
 HIS  A 502 (-3.8A)
HIS  A 502 ( 3.1A)
None
HIS  A 502 (-4.5A)
None
 1.27A 1httC-5e3iA:
43.7		 1httC-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
GLN A 129
GLU A 133
LEU A 263
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
None
HIS  A 502 (-4.7A)
HIS  A 502 ( 3.8A)
HIS  A 502 (-4.5A)
HIS  A 502 (-3.5A)
HIS  A 502 (-3.8A)
 0.26A 1httC-5e3iA:
43.7		 1httC-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)
 1.33A 1httC-5e3iA:
43.7		 1httC-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)
 1.06A 1httC-5e3iA:
43.7		 1httC-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
 1.21A 1httC-5ek0A:
undetectable		 1httC-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)
 1.16A 1httC-5g5gC:
undetectable		 1httC-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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		5 GLU A 205
LEU A 140
GLY A 180
GLY A 184
ALA A 182
 None
 1.29A 1httC-5jboA:
undetectable		 1httC-5jboA:
22.91
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLN A 103
TYR A 296
TYR A 278
GLY A 271
GLY A 269
 None
 1.20A 1httC-5jt8A:
undetectable		 1httC-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
 1.20A 1httC-5kh1A:
undetectable		 1httC-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
 1.16A 1httC-5malA:
2.8		 1httC-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.
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
 1.31A 1httC-5msoA:
undetectable		 1httC-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
 1.18A 1httC-5ocmA:
3.3		 1httC-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
 1.17A 1httC-5oomX:
undetectable		 1httC-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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLU A 794
LEU A 802
TYR A 804
GLY A  82
ALA A 595
 None
 1.24A 1httC-5t9gA:
undetectable		 1httC-5t9gA:
19.45
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.
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
 1.05A 1httC-5vhid:
undetectable		 1httC-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 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)
 0.79A 1httC-5w25A:
14.5		 1httC-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
GLY A 360
TYR A 363
GLY A 381
 None
 1.02A 1httC-5w6mA:
31.8		 1httC-5w6mA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 TYR A 330
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 0.76A 1httC-5w6mA:
31.8		 1httC-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
 1.23A 1httC-5xyaA:
3.2		 1httC-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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLU A 305
GLN A 301
GLU A 645
GLY A 638
GLY A 641
 None
 1.09A 1httC-6fuyA:
undetectable		 1httC-6fuyA:
undetectable