SIMILAR PATTERNS OF AMINO ACIDS FOR 5E3I_B_HISB502_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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		5 THR A 108
GLN A 216
GLU A 144
GLY A 289
GLY A  85
 None
 1.34A 5e3iB-1b65A:
undetectable		 5e3iB-1b65A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 5e3iB-1b8aA:
14.5		 5e3iB-1b8aA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
GLN A 231
GLY A 486
GLY A 530
ALA A 532
 AMO  A 831 (-3.0A)
AMO  A 831 (-3.2A)
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
AMO  A 831 (-3.5A)
 0.34A 5e3iB-1c0aA:
15.2		 5e3iB-1c0aA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 217
GLU A 235
GLY A 486
GLY A 530
ALA A 532
 AMO  A 831 (-3.0A)
None
AMO  A 831 (-3.5A)
AMO  A 831 (-4.3A)
AMO  A 831 (-3.5A)
 0.95A 5e3iB-1c0aA:
15.2		 5e3iB-1c0aA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 188
ARG A 220
GLN A 237
GLU A 241
TYR A 287
 GAP  A1550 ( 2.6A)
GAP  A1550 ( 2.4A)
GAP  A1550 ( 3.5A)
None
None
 1.01A 5e3iB-1ggmA:
21.5		 5e3iB-1ggmA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLU A 188
ARG A 220
GLN A 237
TYR A 287
GLY A 307
 GAP  A1550 ( 2.6A)
GAP  A1550 ( 2.4A)
GAP  A1550 ( 3.5A)
None
GAP  A1550 ( 4.6A)
 1.11A 5e3iB-1ggmA:
21.5		 5e3iB-1ggmA:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 GLU B  81
THR B  83
GLN B 126
GLU B 130
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.69A 5e3iB-1h4vB:
36.1		 5e3iB-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU B  81
THR B  83
GLN B 126
GLU B 130
TYR B 264
TYR B 288
ALA B 306
 None
 0.89A 5e3iB-1h4vB:
36.1		 5e3iB-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR B 264
GLY B 285
TYR B 288
GLY B 304
ALA B 306
 None
 0.98A 5e3iB-1h4vB:
36.1		 5e3iB-1h4vB:
38.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		11 GLU A  83
THR A  85
ARG A 113
GLN A 127
GLU A 131
TYR A 263
TYR A 264
GLY A 285
TYR A 288
GLY A 304
ALA A 306
 HIS  A 450 ( 3.8A)
HIS  A 450 ( 3.2A)
AMP  A 451 ( 2.3A)
HIS  A 450 (-3.1A)
HIS  A 450 ( 3.0A)
None
HIS  A 450 ( 4.6A)
HIS  A 450 ( 3.8A)
None
HIS  A 450 ( 4.2A)
HIS  A 450 ( 4.0A)
 0.23A 5e3iB-1httA:
44.0		 5e3iB-1httA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 GLU A  83
THR A  85
GLN A 127
TYR A 263
GLY A 304
ALA A 306
 HIS  A 450 ( 3.8A)
HIS  A 450 ( 3.2A)
HIS  A 450 (-3.1A)
None
HIS  A 450 ( 4.2A)
HIS  A 450 ( 4.0A)
 1.37A 5e3iB-1httA:
44.0		 5e3iB-1httA:
55.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A  83
THR A  85
GLU A 131
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)
None
HIS  A 450 ( 4.6A)
None
HIS  A 450 ( 4.2A)
 1.13A 5e3iB-1httA:
44.0		 5e3iB-1httA:
55.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j32 ASPARTATE
AMINOTRANSFERASE

(Phormidium
lapideum) 		PF00155
(Aminotran_1_2) 		5 GLU A  69
THR A 272
ARG A  71
GLY A  59
ALA A  55
 None
 1.33A 5e3iB-1j32A:
undetectable		 5e3iB-1j32A:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 THR A 379
GLU A 382
TYR A 429
TYR A 440
ALA A 383
 None
 1.07A 5e3iB-1l2qA:
undetectable		 5e3iB-1l2qA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.29A 5e3iB-1n60B:
undetectable		 5e3iB-1n60B:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 5e3iB-1n60A:
undetectable		 5e3iB-1n60A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		5 GLU A 304
GLN A 306
GLY A  66
TYR A  60
ALA A  69
 BGC  A1400 ( 4.8A)
None
None
BGC  A1400 ( 4.8A)
None
 1.28A 5e3iB-1nsvA:
undetectable		 5e3iB-1nsvA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 TYR A 117
GLY A 153
TYR A 108
GLY A 170
ALA A 163
 None
None
None
None
PCA  A   1 ( 4.3A)
 1.20A 5e3iB-1ovwA:
undetectable		 5e3iB-1ovwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pto PERTUSSIS TOXIN

(Bordetella
pertussis) 		PF02918
(Pertussis_S2S3)
PF03440
(APT) 		5 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.82A 5e3iB-1ptoC:
undetectable		 5e3iB-1ptoC:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A  80
ARG A 112
GLN A 126
GLY A 285
ALA A 307
 None
 1.18A 5e3iB-1qe0A:
35.2		 5e3iB-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		10 GLU A  80
THR A  82
ARG A 112
GLN A 126
GLU A 130
TYR A 262
GLY A 286
TYR A 289
GLY A 305
ALA A 307
 None
 0.96A 5e3iB-1qe0A:
35.2		 5e3iB-1qe0A:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 130
TYR A 262
TYR A 289
GLY A 305
ALA A 307
 None
 1.09A 5e3iB-1qe0A:
35.2		 5e3iB-1qe0A:
40.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00111
(Fer2)
PF01799
(Fer2_2)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.24A 5e3iB-1t3qA:
undetectable		 5e3iB-1t3qA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 GLN C  92
GLU C  96
TYR C 234
TYR C 256
GLY C 265
 None
 1.34A 5e3iB-1usyC:
17.5		 5e3iB-1usyC:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.64A 5e3iB-1usyC:
17.5		 5e3iB-1usyC:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE

(Sulfolobus
solfataricus) 		PF00701
(DHDPS) 		5 THR A  43
TYR A 132
GLY A 179
TYR A 130
ALA A 198
 PYR  A1295 (-4.2A)
None
PYR  A1295 ( 4.6A)
PYR  A1295 (-4.2A)
PYR  A1295 ( 4.8A)
 1.29A 5e3iB-1w3iA:
undetectable		 5e3iB-1w3iA:
20.68
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A  81
THR A  83
GLY A 290
TYR A 293
GLY A 309
 None
 0.96A 5e3iB-1wu7A:
30.8		 5e3iB-1wu7A:
29.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A  83
GLN A 124
TYR A 270
GLY A 290
TYR A 293
GLY A 309
 None
 1.02A 5e3iB-1wu7A:
30.8		 5e3iB-1wu7A:
29.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR A 269
TYR A 270
GLY A 290
TYR A 293
GLY A 309
 None
 0.88A 5e3iB-1wu7A:
30.8		 5e3iB-1wu7A:
29.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 211
GLU A 230
TYR A 333
GLY A 361
GLY A 401
 NSS  A3002 (-2.9A)
None
None
NSS  A3002 ( 4.2A)
NSS  A3002 ( 4.9A)
 1.01A 5e3iB-1x55A:
14.5		 5e3iB-1x55A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 ARG A 112
GLU A 130
TYR A 268
TYR A 291
GLY A 306
 None
 1.28A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 GLU A 130
TYR A 268
TYR A 269
GLY A 288
GLY A 306
 None
 0.75A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 GLU A 130
TYR A 268
TYR A 269
TYR A 291
GLY A 306
 None
 1.13A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		6 THR A  86
ARG A 112
GLN A 126
GLU A 130
TYR A 291
GLY A 306
 None
 1.12A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLN A 126
GLU A 130
GLY A 288
GLY A 306
 None
 0.61A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 269
GLY A 288
GLY A 306
 None
 0.63A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 269
GLY A 289
GLY A 306
 None
 1.34A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7m ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Lactococcus
lactis) 		PF13393
(tRNA-synt_His) 		5 THR A  86
GLU A 130
TYR A 269
TYR A 291
GLY A 306
 None
 1.06A 5e3iB-1z7mA:
23.8		 5e3iB-1z7mA:
27.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcz BETA-EXPANSIN 1A

(Zea mays) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		5 GLN X 243
TYR X  52
GLY X 172
TYR X  92
ALA X 169
 None
 1.25A 5e3iB-2hczX:
undetectable		 5e3iB-2hczX:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		5 THR A  61
ARG A 255
TYR A 150
GLY A 197
TYR A 148
 PYR  A 999 (-4.3A)
None
None
PYR  A 999 (-4.6A)
PYR  A 999 (-4.5A)
 1.31A 5e3iB-2r94A:
undetectable		 5e3iB-2r94A:
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 THR A 158
ARG A 521
TYR A 162
GLY A 182
GLY A 179
 None
 1.32A 5e3iB-2wtzA:
3.0		 5e3iB-2wtzA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.04A 5e3iB-2xgtA:
14.1		 5e3iB-2xgtA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		5 GLU D 375
THR D 372
TYR D   8
GLY D 327
TYR D 329
 None
 1.34A 5e3iB-2ynmD:
undetectable		 5e3iB-2ynmD:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.25A 5e3iB-2yxlA:
undetectable		 5e3iB-2yxlA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 GLN E 224
GLY E 230
TYR E 269
GLY E 227
ALA E 297
 None
 1.35A 5e3iB-3aoeE:
undetectable		 5e3iB-3aoeE:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 THR E 249
GLY E 230
TYR E 269
GLY E 227
ALA E 297
 None
 1.04A 5e3iB-3aoeE:
undetectable		 5e3iB-3aoeE:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cny INOSITOL CATABOLISM
PROTEIN IOLE

(Lactobacillus
plantarum) 		PF01261
(AP_endonuc_2) 		5 THR A 168
ARG A 228
GLU A 171
GLY A 163
GLY A 165
 None
 1.26A 5e3iB-3cnyA:
undetectable		 5e3iB-3cnyA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 5e3iB-3fdbA:
undetectable		 5e3iB-3fdbA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A 125
THR A 127
GLN A 169
TYR A 317
GLY A 338
TYR A 341
GLY A 358
 None
 1.06A 5e3iB-3hriA:
31.7		 5e3iB-3hriA:
28.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 THR A 127
GLN A 169
TYR A 317
TYR A 318
GLY A 338
TYR A 341
GLY A 358
 None
 0.95A 5e3iB-3hriA:
31.7		 5e3iB-3hriA:
28.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42
PRE-MRNA-SPLICING
FACTOR PRP5

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
PF00400
(WD40) 		5 GLU A 707
GLY K 224
TYR K 251
GLY K 249
ALA K 206
 None
 1.31A 5e3iB-3jb9A:
undetectable		 5e3iB-3jb9A:
11.21
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.
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
 1.25A 5e3iB-3ne5A:
undetectable		 5e3iB-3ne5A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 100
ARG A 128
GLN A 142
TYR A 327
GLY A 343
 None
 0.71A 5e3iB-3netA:
27.4		 5e3iB-3netA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		6 THR A 100
GLN A 142
TYR A 303
GLY A 324
TYR A 327
GLY A 343
 None
 0.75A 5e3iB-3netA:
27.4		 5e3iB-3netA:
28.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 THR A 100
GLN A 205
GLU A 133
GLY A 289
GLY A  77
 OAE  A 376 ( 3.9A)
None
OAE  A 376 (-2.6A)
OAE  A 376 ( 4.5A)
OAE  A 376 ( 3.7A)
 1.29A 5e3iB-3nfbA:
undetectable		 5e3iB-3nfbA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		6 THR A  83
ARG A 111
GLN A 125
GLU A 129
TYR A 274
TYR A 297
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
 1.30A 5e3iB-3od1A:
28.4		 5e3iB-3od1A:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		8 THR A  83
ARG A 111
GLN A 125
GLU A 129
TYR A 275
GLY A 294
TYR A 297
GLY A 312
 None
PEG  A 399 (-4.6A)
PEG  A 398 ( 4.2A)
None
None
None
None
None
 0.74A 5e3iB-3od1A:
28.4		 5e3iB-3od1A:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		8 THR A  83
GLN A 125
GLU A 129
TYR A 274
TYR A 275
GLY A 294
TYR A 297
GLY A 312
 None
PEG  A 398 ( 4.2A)
None
None
None
None
None
None
 0.70A 5e3iB-3od1A:
28.4		 5e3iB-3od1A:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3od1 ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Bacillus
halodurans) 		PF13393
(tRNA-synt_His) 		6 THR A  83
GLU A 129
TYR A 274
TYR A 275
GLY A 295
GLY A 312
 None
 1.43A 5e3iB-3od1A:
28.4		 5e3iB-3od1A:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvt PHENYLACETIC ACID
DEGRADATION PROTEIN
PAAA

(Escherichia
coli) 		PF05138
(PaaA_PaaC) 		5 ARG A 283
GLN A 276
TYR A 104
GLY A 270
GLY A 272
 None
 1.19A 5e3iB-3pvtA:
undetectable		 5e3iB-3pvtA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 ARG A 125
GLN A 145
GLU A 149
TYR A 310
GLY A 348
ALA A 350
 None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.48A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 GLN A 145
GLU A 149
TYR A 311
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.18A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		8 GLU A  95
THR A  97
ARG A 125
GLN A 145
GLU A 149
TYR A 333
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
None
LMR  A 401 (-3.7A)
LMR  A 401 (-3.7A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.91A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 GLU A  95
THR A  97
GLN A 145
GLU A 149
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
LMR  A 401 (-4.5A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.44A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		9 GLU A  95
THR A  97
GLN A 145
GLU A 149
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
LMR  A 401 (-4.5A)
LMR  A 401 (-4.1A)
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 0.64A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		6 GLU A  95
THR A  97
GLN A 145
TYR A 310
GLY A 348
ALA A 350
 LMR  A 401 (-3.4A)
LMR  A 401 (-3.5A)
LMR  A 401 (-3.7A)
None
LMR  A 401 (-3.4A)
LMR  A 401 ( 3.9A)
 1.36A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		7 GLU A  95
THR A  97
GLU A 149
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
LMR  A 401 (-4.5A)
None
LMR  A 401 (-3.4A)
 1.16A 5e3iB-3racA:
26.2		 5e3iB-3racA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 286
GLU A 387
TYR A  22
GLY A  46
GLY A 383
 None
 1.33A 5e3iB-3rcyA:
undetectable		 5e3iB-3rcyA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t58 SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 GLU A 437
GLU A 431
TYR A 343
TYR A 424
ALA A 433
 None
 1.26A 5e3iB-3t58A:
2.5		 5e3iB-3t58A:
24.73
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.
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 5e3iB-3v76A:
undetectable		 5e3iB-3v76A:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 5e3iB-3vnsA:
undetectable		 5e3iB-3vnsA:
22.80
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.
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
 1.09A 5e3iB-3wweA:
undetectable		 5e3iB-3wweA:
20.63
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) 		7 ARG A 120
GLN A 134
GLU A 138
TYR A 270
TYR A 294
GLY A 310
ALA A 312
 HIS  A 501 (-4.5A)
HIS  A 501 (-3.4A)
HIS  A 501 (-2.7A)
HIS  A 501 (-4.5A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
HIS  A 501 ( 3.8A)
 1.34A 5e3iB-4e51A:
42.6		 5e3iB-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		11 GLU A  90
THR A  92
ARG A 120
GLN A 134
GLU A 138
TYR A 269
TYR A 270
GLY A 291
TYR A 294
GLY A 310
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-3.5A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.4A)
HIS  A 501 (-2.7A)
None
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)
 0.39A 5e3iB-4e51A:
42.6		 5e3iB-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A  90
THR A  92
GLU A 138
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
HIS  A 501 (-4.5A)
None
HIS  A 501 (-3.3A)
 1.17A 5e3iB-4e51A:
42.6		 5e3iB-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A  90
TYR A 270
GLY A 310
TYR A 269
ALA A 312
 HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
HIS  A 501 (-3.3A)
None
HIS  A 501 ( 3.8A)
 1.24A 5e3iB-4e51A:
42.6		 5e3iB-4e51A:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e51 HISTIDINE--TRNA
LIGASE

(Burkholderia
thailandensis) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 138
GLU A  90
TYR A 294
TYR A 269
ALA A  94
 HIS  A 501 (-2.7A)
HIS  A 501 (-3.6A)
HIS  A 501 (-4.5A)
None
None
 0.90A 5e3iB-4e51A:
42.6		 5e3iB-4e51A:
47.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 THR A  79
TYR A  35
GLY A 187
TYR A 228
GLY A 141
 None
 1.32A 5e3iB-4hyqA:
undetectable		 5e3iB-4hyqA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		5 TYR A 507
TYR A 511
GLY A 419
GLY A 421
ALA A 415
 None
 1.33A 5e3iB-4l4xA:
undetectable		 5e3iB-4l4xA:
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ARG A 157
TYR A 330
TYR A 363
GLY A 361
ALA A 359
 HIS  A1001 (-3.6A)
None
HIS  A1001 (-4.6A)
None
None
 1.35A 5e3iB-4phcA:
34.0		 5e3iB-4phcA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 THR A 132
ARG A 157
GLN A 173
TYR A 330
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 HIS  A1001 (-3.6A)
HIS  A1001 (-3.6A)
HIS  A1001 (-3.0A)
None
HIS  A1001 (-4.7A)
HIS  A1001 (-3.6A)
HIS  A1001 (-4.6A)
HIS  A1001 (-3.7A)
 0.42A 5e3iB-4phcA:
34.0		 5e3iB-4phcA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 THR A 132
TYR A 330
TYR A 331
GLY A 361
GLY A 381
 HIS  A1001 (-3.6A)
None
HIS  A1001 (-4.7A)
None
HIS  A1001 (-3.7A)
 1.28A 5e3iB-4phcA:
34.0		 5e3iB-4phcA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnh MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 GLU A1189
GLN A1177
GLU A1367
GLY A1388
GLY A1368
 MG  A1501 ( 2.9A)
None
C2E  A1503 (-3.3A)
C2E  A1503 (-3.3A)
C2E  A1503 (-3.4A)
 1.28A 5e3iB-4rnhA:
undetectable		 5e3iB-4rnhA:
24.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLU A 126
THR A 128
GLN A 170
TYR A 318
GLY A 359
 HIS  A 501 (-3.8A)
HIS  A 501 (-3.7A)
HIS  A 501 (-3.4A)
None
HIS  A 501 (-3.5A)
 1.10A 5e3iB-4yrpA:
33.7		 5e3iB-4yrpA:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		8 GLU A 126
THR A 128
GLN A 170
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)
None
HIS  A 501 (-4.9A)
HIS  A 501 ( 4.3A)
HIS  A 501 (-4.6A)
HIS  A 501 (-3.5A)
 0.57A 5e3iB-4yrpA:
33.7		 5e3iB-4yrpA:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl5 MEMBRANE PROTEIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 GLU A 130
TYR A 291
GLY A 292
GLY A 297
ALA A 167
 None
 1.19A 5e3iB-5dl5A:
undetectable		 5e3iB-5dl5A:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		11 GLU A  85
THR A  87
ARG A 115
GLN A 129
GLU A 133
TYR A 265
TYR A 266
GLY A 287
TYR A 290
GLY A 309
ALA A 311
 HIS  A 502 (-3.8A)
HIS  A 502 (-3.4A)
ATP  A 501 ( 2.5A)
HIS  A 502 ( 3.1A)
HIS  A 502 (-2.6A)
None
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)
 0.08A 5e3iB-5e3iA:
53.3		 5e3iB-5e3iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		7 GLU A  85
THR A  87
GLU A 133
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
HIS  A 502 (-4.7A)
None
HIS  A 502 (-3.5A)
 1.08A 5e3iB-5e3iA:
53.3		 5e3iB-5e3iA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 5e3iB-5jt8A:
undetectable		 5e3iB-5jt8A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		5 THR A  78
GLN A 118
GLU A 122
GLY A 285
GLY A 306
 SR  A 401 (-3.4A)
MPD  A 407 (-4.2A)
None
MPD  A 406 ( 3.9A)
MPD  A 406 (-3.9A)
 0.97A 5e3iB-5m8hA:
25.2		 5e3iB-5m8hA:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5e3iB-5ocmA:
2.6		 5e3iB-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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLU A 104
GLN A 106
GLU A 108
GLY A  98
GLY A 123
 None
SF4  A 501 (-4.4A)
None
SF4  A 501 ( 4.4A)
SF4  A 501 ( 4.3A)
 1.21A 5e3iB-5vj7A:
3.4		 5e3iB-5vj7A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.28A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 173
GLN A 233
GLY A 488
GLY A 489
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
None
ASP  A 701 ( 4.0A)
ASP  A 701 (-3.6A)
 1.12A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLU A 173
GLN A 233
GLY A 489
GLY A 533
ALA A 535
 ASP  A 701 (-3.2A)
ASP  A 701 (-3.3A)
ASP  A 701 ( 4.0A)
None
ASP  A 701 (-3.6A)
 0.86A 5e3iB-5w25A:
14.3		 5e3iB-5w25A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 5 GLN A 173
TYR A 331
GLY A 360
TYR A 363
GLY A 381
 None
 0.88A 5e3iB-5w6mA:
29.5		 5e3iB-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
 1.21A 5e3iB-5xyaA:
2.8		 5e3iB-5xyaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydg MULTIPLE ORGANELLAR
RNA EDITING FACTOR
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 GLU A 174
ARG A 184
GLY A 138
TYR A 108
GLY A 136
 None
 1.19A 5e3iB-5ydgA:
undetectable		 5e3iB-5ydgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 ARG A 265
GLN A  95
GLU A 152
GLY A 349
GLY A 347
 None
 1.22A 5e3iB-5ydlA:
undetectable		 5e3iB-5ydlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLU A 305
GLN A 301
GLU A 645
GLY A 638
GLY A 641
 None
 1.17A 5e3iB-6fuyA:
undetectable		 5e3iB-6fuyA:
undetectable