SIMILAR PATTERNS OF AMINO ACIDS FOR 1QU2_A_MRCA1993_1

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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 GLY A  54
HIS A  55
GLY A 194
ASP A 196
GLN A 197
 ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.2A)
ATP  A1433 ( 4.2A)
TYE  A1434 ( 3.5A)
 0.70A 1qu2A-1h3eA:
5.0		 1qu2A-1h3eA:
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.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
GLY A 149
ASP A 152
 None
 1.01A 1qu2A-1ihoA:
2.0		 1qu2A-1ihoA:
15.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 HIS A  57
GLY A  56
SER A 521
GLY A 551
GLN A 554
HIS A 581
 None
 1.21A 1qu2A-1ileA:
32.9		 1qu2A-1ileA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		9 PRO A  46
GLY A  56
HIS A  57
SER A 521
GLY A 551
ASP A 553
GLN A 554
HIS A 581
MET A 592
 None
 0.82A 1qu2A-1ileA:
32.9		 1qu2A-1ileA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		9 PRO A  46
HIS A  54
GLY A  56
HIS A  57
SER A 521
GLY A 551
GLN A 554
HIS A 581
MET A 592
 None
 0.69A 1qu2A-1ileA:
32.9		 1qu2A-1ileA:
30.94
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 119
GLY A 121
HIS A 122
GLN A 357
VAL A 388
 None
 0.89A 1qu2A-1iq0A:
undetectable		 1qu2A-1iq0A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 GLY A  49
HIS A  50
ASP A 195
GLN A 196
VAL A 224
 None
545  A 421 (-3.7A)
545  A 421 (-2.9A)
545  A 421 (-3.4A)
None
 1.08A 1qu2A-1jikA:
5.1		 1qu2A-1jikA:
17.78
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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  50
GLY A 193
ASP A 195
GLN A 196
VAL A 224
 545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
545  A 421 (-3.4A)
None
 0.60A 1qu2A-1jikA:
5.1		 1qu2A-1jikA:
17.78
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.
1k4m NAMN
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF01467
(CTP_transf_like) 		5 HIS A  16
GLY A  18
HIS A  19
GLY A 107
ASP A 109
 None
NAD  A 601 (-3.8A)
NAD  A 601 (-4.5A)
NAD  A 601 (-3.1A)
NAD  A 601 ( 2.9A)
 0.98A 1qu2A-1k4mA:
2.7		 1qu2A-1k4mA:
11.98
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A  37
GLY A  39
GLY A 227
ASP A 229
VAL A 260
 None
 0.57A 1qu2A-1li7A:
20.5		 1qu2A-1li7A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 HIS A  44
GLY A  46
HIS A  47
ASP A 161
VAL A 187
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
None
 1.03A 1qu2A-1n2oA:
undetectable		 1qu2A-1n2oA:
15.52
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 HIS A  44
GLY A  46
HIS A  47
GLY A 158
VAL A 187
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
None
 0.78A 1qu2A-1n2oA:
undetectable		 1qu2A-1n2oA:
15.52
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A 176
GLY A 125
HIS A 127
GLY A 290
ASP A 255
 FE  A 401 (-3.3A)
None
FE  A 401 ( 4.8A)
None
None
 0.99A 1qu2A-1o12A:
undetectable		 1qu2A-1o12A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 141
HIS A 193
GLY A  96
ASP A 100
VAL A 144
 None
FE  A 900 ( 3.4A)
NAP  A1800 (-3.3A)
NAP  A1800 (-2.8A)
None
 1.17A 1qu2A-1o2dA:
undetectable		 1qu2A-1o2dA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 GLY A  82
HIS A  80
GLY A  85
ASP A 124
VAL A  47
 None
ZN  A 202 (-3.0A)
None
None
None
 1.11A 1qu2A-1p1vA:
undetectable		 1qu2A-1p1vA:
10.88
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 PRO A  30
GLY A 133
ASP A 134
PHE A 137
VAL A 138
 None
None
ZN  A 262 ( 2.4A)
GSH  A 463 (-4.9A)
None
 1.03A 1qu2A-1qh5A:
undetectable		 1qu2A-1qh5A:
14.07
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.
1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  12
GLY A  14
HIS A  15
GLY A  99
VAL A 128
 None
 0.89A 1qu2A-1t6xA:
2.9		 1qu2A-1t6xA:
15.61
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.
1tyd TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 GLY E  47
HIS E  48
GLY E 192
ASP E 194
GLN E 195
 None
None
None
None
TYR  E 320 (-3.3A)
 0.70A 1qu2A-1tydE:
4.0		 1qu2A-1tydE:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyd TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS E  48
GLY E 192
ASP E 194
GLN E 195
VAL E 223
 None
None
None
TYR  E 320 (-3.3A)
None
 0.73A 1qu2A-1tydE:
4.0		 1qu2A-1tydE:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 HIS A  29
GLY A  31
HIS A  32
GLY A 143
VAL A 172
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
None
 0.76A 1qu2A-1ufvA:
3.7		 1qu2A-1ufvA:
15.30
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 HIS A  29
HIS A  32
GLY A 143
ASP A 146
VAL A 172
 CL  A1002 (-4.8A)
GOL  A1300 (-4.6A)
None
None
None
 1.09A 1qu2A-1ufvA:
3.7		 1qu2A-1ufvA:
15.30
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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 GLY A  50
HIS A  51
GLY A 198
ASP A 200
GLN A 201
 YSA  A3001 (-3.3A)
YSA  A3001 ( 3.8A)
YSA  A3001 (-3.0A)
YSA  A3001 (-3.2A)
YSA  A3001 (-3.5A)
 0.45A 1qu2A-1vbmA:
6.8		 1qu2A-1vbmA:
16.12
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 144
HIS A 199
SER A 275
GLY A  99
ASP A 103
 None
FE  A 400 ( 3.3A)
None
NAP  A 800 (-3.4A)
NAP  A 800 (-2.9A)
 1.17A 1qu2A-1vljA:
undetectable		 1qu2A-1vljA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 GLY A  52
HIS A  53
GLY A 610
ASP A 612
PHE A 643
 None
 0.84A 1qu2A-1wkbA:
25.1		 1qu2A-1wkbA:
24.07
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  50
GLY A  52
HIS A  53
GLY A 610
ASP A 612
 None
 0.99A 1qu2A-1wkbA:
25.1		 1qu2A-1wkbA:
24.07
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  53
SER A 532
GLY A 610
ASP A 612
MET A 651
 None
 0.99A 1qu2A-1wkbA:
25.1		 1qu2A-1wkbA:
24.07
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  19
GLY A  21
HIS A  22
GLY A 258
ASP A 260
 None
 0.61A 1qu2A-1woyA:
24.3		 1qu2A-1woyA:
20.30
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  53
SER A 532
GLY A 610
ASP A 612
MET A 651
 None
 1.07A 1qu2A-1wz2A:
25.9		 1qu2A-1wz2A:
25.05
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		6 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
HIS A 286
 MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-4.2A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
 0.79A 1qu2A-2ct8A:
25.0		 1qu2A-2ct8A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 GLY A  48
HIS A  49
GLY A 177
ASP A 179
GLN A 180
 None
 0.60A 1qu2A-2cybA:
3.3		 1qu2A-2cybA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 GLY A  49
HIS A  47
GLY A 187
ASP A 189
HIS A 223
 None
 1.11A 1qu2A-2cycA:
4.6		 1qu2A-2cycA:
17.86
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.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		6 HIS A  47
GLY A  49
GLY A 187
ASP A 189
GLN A 190
HIS A 223
 None
None
None
None
TYR  A 701 (-3.3A)
None
 0.66A 1qu2A-2cycA:
4.6		 1qu2A-2cycA:
17.86
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 HIS X  53
GLY X 189
ASP X 191
GLN X 192
VAL X 219
 YMP  X 601 (-4.3A)
YMP  X 601 (-2.8A)
YMP  X 601 (-3.2A)
YMP  X 601 (-3.4A)
YMP  X 601 (-3.8A)
 0.85A 1qu2A-2dlcX:
7.5		 1qu2A-2dlcX:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 GLY A  49
HIS A  50
GLY A 194
ASP A 196
GLN A 197
 None
 0.99A 1qu2A-2janA:
4.9		 1qu2A-2janA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 HIS A  50
GLY A 194
ASP A 196
GLN A 197
VAL A 224
 None
 0.86A 1qu2A-2janA:
4.9		 1qu2A-2janA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 GLY A 272
HIS A 234
GLY A  78
VAL A 292
MET A 285
 None
GUN  A 600 ( 2.8A)
None
None
None
 1.18A 1qu2A-2oodA:
undetectable		 1qu2A-2oodA:
20.02
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.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 GLY A  90
HIS A  91
GLY A 244
ASP A 246
GLN A 247
 YSA  A 384 (-3.5A)
YSA  A 384 (-4.1A)
YSA  A 384 (-2.5A)
YSA  A 384 (-3.3A)
YSA  A 384 (-3.2A)
 0.57A 1qu2A-2pidA:
4.3		 1qu2A-2pidA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 HIS A  88
GLY A  90
HIS A  91
GLY A 244
ASP A 246
 None
YSA  A 384 (-3.5A)
YSA  A 384 (-4.1A)
YSA  A 384 (-2.5A)
YSA  A 384 (-3.3A)
 0.85A 1qu2A-2pidA:
4.3		 1qu2A-2pidA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ts1 TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 GLY A  47
HIS A  48
GLY A 192
ASP A 194
GLN A 195
 None
 0.74A 1qu2A-2ts1A:
4.8		 1qu2A-2ts1A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ts1 TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  48
GLY A 192
ASP A 194
GLN A 195
VAL A 223
 None
 0.70A 1qu2A-2ts1A:
4.8		 1qu2A-2ts1A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		5 GLY A  21
HIS A  22
GLY A 263
ASP A 265
HIS A 292
 None
 0.44A 1qu2A-2x1mA:
22.7		 1qu2A-2x1mA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 HIS A  16
GLY A  18
GLY A 152
ASP A 154
GLN A 155
 SO4  A1362 ( 4.1A)
WSA  A1350 (-3.5A)
WSA  A1350 (-3.2A)
WSA  A1350 (-2.7A)
SO4  A1363 ( 3.2A)
 0.69A 1qu2A-2yy5A:
5.8		 1qu2A-2yy5A:
16.88
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 135
GLY A 137
HIS A 138
GLY A 384
VAL A 418
 None
 0.82A 1qu2A-2zufA:
13.6		 1qu2A-2zufA:
22.84
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		6 HIS A  35
GLY A  37
HIS A  38
GLY A 148
ASP A 151
VAL A 177
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 (-4.2A)
PAJ  A 501 (-3.1A)
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.9A)
 1.01A 1qu2A-3ag6A:
2.2		 1qu2A-3ag6A:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		5 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.74A 1qu2A-3c8zA:
8.3		 1qu2A-3c8zA:
19.05
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		6 HIS A  21
GLY A  23
HIS A  24
GLY A 294
HIS A 323
VAL A 326
 None
 0.78A 1qu2A-3h9cA:
22.5		 1qu2A-3h9cA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 PRO A 575
GLY A 265
GLY A 268
ASP A 270
VAL A 248
 None
 1.13A 1qu2A-3hjeA:
undetectable		 1qu2A-3hjeA:
22.73
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		6 HIS A  34
GLY A  36
HIS A  37
GLY A 147
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 1.01A 1qu2A-3innA:
4.7		 1qu2A-3innA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 GLY A  89
HIS A  90
ASP A 216
GLN A 217
VAL A 244
 TYM  A 400 (-3.6A)
SO4  A 393 ( 3.9A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
TYM  A 400 (-3.9A)
 0.75A 1qu2A-3jxeA:
4.3		 1qu2A-3jxeA:
17.99
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  87
GLY A  89
HIS A  90
ASP A 216
VAL A 244
 SO4  A 393 (-3.9A)
TYM  A 400 (-3.6A)
SO4  A 393 ( 3.9A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.9A)
 1.07A 1qu2A-3jxeA:
4.3		 1qu2A-3jxeA:
17.99
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  90
ASP A 216
GLN A 217
PHE A 243
VAL A 244
 SO4  A 393 ( 3.9A)
TYM  A 400 (-3.4A)
TYM  A 400 (-3.5A)
None
TYM  A 400 (-3.9A)
 0.85A 1qu2A-3jxeA:
4.3		 1qu2A-3jxeA:
17.99
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		6 HIS A 225
GLY A 227
HIS A 228
GLY A 484
ASP A 486
HIS A 513
 POP  A 802 ( 4.0A)
ME8  A 801 (-3.4A)
POP  A 802 ( 3.8A)
ME8  A 801 (-3.2A)
ME8  A 801 ( 2.6A)
ME8  A 801 (-4.6A)
 0.83A 1qu2A-3kflA:
21.7		 1qu2A-3kflA:
21.82
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 228
GLY A 227
GLY A 484
ASP A 486
HIS A 513
 POP  A 802 ( 3.8A)
ME8  A 801 (-3.4A)
ME8  A 801 (-3.2A)
ME8  A 801 ( 2.6A)
ME8  A 801 (-4.6A)
 1.05A 1qu2A-3kflA:
21.7		 1qu2A-3kflA:
21.82
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.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
GLY A 149
ASP A 152
 EOH  A 292 (-4.3A)
EOH  A 292 ( 4.1A)
None
None
None
 1.06A 1qu2A-3mueA:
4.1		 1qu2A-3mueA:
16.12
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.
3op1 MACROLIDE-EFFLUX
PROTEIN

(Streptococcus
pneumoniae) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  30
GLY A  32
HIS A  33
GLY A 126
VAL A 155
 SO4  A 311 (-4.1A)
GOL  A 312 (-3.3A)
SO4  A 311 (-4.3A)
GOL  A 312 (-3.6A)
GOL  A 312 (-4.2A)
 0.89A 1qu2A-3op1A:
undetectable		 1qu2A-3op1A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PRO A 415
GLY A 192
SER A 166
ASP A 129
MET A 452
 GOL  A 520 ( 4.8A)
ZN  A 504 ( 3.9A)
None
ZN  A 502 ( 2.3A)
None
 1.08A 1qu2A-3pfeA:
undetectable		 1qu2A-3pfeA:
20.30
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.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		6 HIS A  34
GLY A  36
HIS A  37
GLY A 149
ASP A 152
VAL A 178
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-4.1A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.6A)
AMP  A 501 (-4.0A)
 0.98A 1qu2A-3q10A:
2.2		 1qu2A-3q10A:
15.75
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 PRO A  31
SER A  63
GLY A 144
ASP A 145
PHE A 148
VAL A 149
 None
None
None
FE  A 443 (-3.2A)
None
None
 1.24A 1qu2A-3r2uA:
undetectable		 1qu2A-3r2uA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 GLY A 270
GLY A 285
ASP A 286
PHE A 283
VAL A 282
 None
 1.11A 1qu2A-3r5gA:
undetectable		 1qu2A-3r5gA:
13.52
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		6 PRO A  31
SER A  63
GLY A 145
ASP A 146
PHE A 149
VAL A 150
 None
None
None
ZN  A 472 (-3.1A)
None
None
 1.19A 1qu2A-3tp9A:
undetectable		 1qu2A-3tp9A:
19.01
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.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		6 HIS A  30
GLY A  32
HIS A  33
GLY A 144
ASP A 147
VAL A 173
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-4.0A)
AMP  A 280 (-3.3A)
MLT  A 284 ( 3.5A)
AMP  A 280 (-3.9A)
 0.96A 1qu2A-3uk2A:
2.5		 1qu2A-3uk2A:
14.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
GLY A 146
ASP A 149
 AMP  A 301 ( 4.5A)
AMP  A 301 ( 3.9A)
AMP  A 301 (-3.9A)
AMP  A 301 (-3.3A)
PAU  A 302 ( 3.7A)
 0.95A 1qu2A-3uy4A:
4.5		 1qu2A-3uy4A:
14.05
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A  70
GLY A 207
ASP A 209
GLN A 210
HIS A 235
 AMP  A 402 (-4.4A)
AMP  A 402 (-3.1A)
AMP  A 402 (-2.8A)
TYR  A 401 ( 3.3A)
AMP  A 402 (-4.0A)
 0.56A 1qu2A-3vgjA:
undetectable		 1qu2A-3vgjA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 GLY A  59
HIS A  58
GLY A  53
ASP A  91
VAL A  26
 None
 1.17A 1qu2A-3zxyA:
undetectable		 1qu2A-3zxyA:
15.85
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		6 GLY A  51
HIS A  52
SER A 496
GLY A 530
VAL A 569
MET A 620
 None
None
LEU  A1001 ( 3.7A)
None
None
None
 0.77A 1qu2A-4arcA:
27.6		 1qu2A-4arcA:
27.02
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.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		5 HIS A  18
GLY A  20
GLY A 206
ASP A 208
VAL A 236
 None
 0.79A 1qu2A-4g6zA:
13.2		 1qu2A-4g6zA:
21.01
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		6 GLY A 319
HIS A 320
GLY A 453
ASP A 455
GLN A 456
PHE A 482
 TYM  A 701 (-3.6A)
TYM  A 701 ( 4.8A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
TYM  A 701 (-3.4A)
None
 0.75A 1qu2A-4j75A:
7.5		 1qu2A-4j75A:
19.31
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		6 GLY A 319
SER A 343
GLY A 453
ASP A 455
GLN A 456
PHE A 482
 TYM  A 701 (-3.6A)
TYM  A 701 (-3.6A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
TYM  A 701 (-3.4A)
None
 1.13A 1qu2A-4j75A:
7.5		 1qu2A-4j75A:
19.31
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A 320
GLY A 319
GLY A 453
ASP A 455
GLN A 456
 TYM  A 701 ( 4.8A)
TYM  A 701 (-3.6A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
TYM  A 701 (-3.4A)
 1.13A 1qu2A-4j75A:
7.5		 1qu2A-4j75A:
19.31
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 GLY B  50
HIS B  48
GLY B 198
ASP B 200
GLN B 201
 GLY  B  50 ( 0.0A)
HIS  B  48 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 1.02A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		6 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
HIS  B  51 ( 1.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.82A 1qu2A-4oudB:
5.1		 1qu2A-4oudB:
17.01
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.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  20
GLY A  22
HIS A  23
HIS A 299
MET A 304
 ATP  A 602 (-4.5A)
ATP  A 602 (-3.6A)
ATP  A 602 (-3.9A)
ATP  A 602 (-4.6A)
None
 1.00A 1qu2A-4qreA:
24.1		 1qu2A-4qreA:
23.48
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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		5 HIS A  42
GLY A  44
HIS A  45
GLY A 136
ASP A 138
 PO4  A 302 ( 4.2A)
NAD  A 301 ( 3.8A)
PO4  A 302 ( 4.0A)
NAD  A 301 (-3.1A)
NAD  A 301 (-2.9A)
 0.92A 1qu2A-4wsoA:
3.9		 1qu2A-4wsoA:
15.43
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 136
GLY A 138
HIS A 139
GLN A 340
VAL A 372
 None
 0.56A 1qu2A-4zajA:
12.6		 1qu2A-4zajA:
21.09
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.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 GLY A  50
GLY A 179
ASP A 181
GLN A 182
VAL A 217
 ATP  A 402 (-3.6A)
ATP  A 402 (-3.0A)
ATP  A 402 (-2.9A)
5BX  A 401 ( 3.0A)
ATP  A 402 (-3.3A)
 0.83A 1qu2A-5ekdA:
3.8		 1qu2A-5ekdA:
17.99
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.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 HIS A  48
GLY A  50
GLY A 179
ASP A 181
VAL A 217
 ATP  A 402 (-4.0A)
ATP  A 402 (-3.6A)
ATP  A 402 (-3.0A)
ATP  A 402 (-2.9A)
ATP  A 402 (-3.3A)
 0.78A 1qu2A-5ekdA:
3.8		 1qu2A-5ekdA:
17.99
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		5 PRO A 412
GLY A 383
GLY A 408
ASP A 407
VAL A  30
 None
 1.14A 1qu2A-5gsmA:
undetectable		 1qu2A-5gsmA:
22.86
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.
5hg0 PANTOTHENATE
SYNTHETASE

(Francisella
tularensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  33
GLY A  35
HIS A  36
GLY A 147
ASP A 150
 SAM  A 301 (-4.5A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.2A)
 0.97A 1qu2A-5hg0A:
undetectable		 1qu2A-5hg0A:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 PRO A 836
HIS A 921
HIS A 923
PHE A 926
VAL A 927
 None
 1.13A 1qu2A-5i6eA:
undetectable		 1qu2A-5i6eA:
23.61
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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		5 GLY A 140
HIS A 141
GLY A 297
ASP A 299
GLN A 300
 None
None
None
None
TYR  A 501 (-2.9A)
 0.75A 1qu2A-5ihxA:
4.3		 1qu2A-5ihxA:
17.29
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.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Coccidioides
posadasii) 		PF00579
(tRNA-synt_1b) 		5 GLY A 127
HIS A 128
GLY A 284
ASP A 286
GLN A 287
 None
None
None
None
TYR  A 501 (-2.8A)
 0.68A 1qu2A-5ijxA:
undetectable		 1qu2A-5ijxA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Coccidioides
posadasii) 		PF00579
(tRNA-synt_1b) 		5 HIS A 125
GLY A 127
HIS A 128
GLY A 284
ASP A 286
 None
 0.93A 1qu2A-5ijxA:
undetectable		 1qu2A-5ijxA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		5 PRO A 117
HIS A  74
GLY A  44
SER A 121
GLY A  48
 None
 1.14A 1qu2A-5jipA:
undetectable		 1qu2A-5jipA:
17.61
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.
5jld ARGINYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 145
GLY A 147
HIS A 148
GLN A 349
VAL A 380
 None
 0.84A 1qu2A-5jldA:
11.6		 1qu2A-5jldA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		6 GLY A  22
HIS A  23
GLY A 262
ASP A 264
HIS A 291
PHE A 293
 None
 0.55A 1qu2A-5k0tA:
24.4		 1qu2A-5k0tA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 GLY A 258
HIS A 259
GLY A 516
ASP A 518
HIS A 545
 None
 0.49A 1qu2A-5nfhA:
21.1		 1qu2A-5nfhA:
21.95
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 HIS A 256
GLY A 258
HIS A 259
ASP A 518
HIS A 545
 None
 0.84A 1qu2A-5nfhA:
21.1		 1qu2A-5nfhA:
21.95
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 PRO A 420
GLY A 122
SER A 328
GLY A 424
VAL A 170
 None
 1.17A 1qu2A-5tr1A:
undetectable		 1qu2A-5tr1A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucr PANTOTHENATE
SYNTHETASE

(Neisseria
gonorrhoeae) 		PF02569
(Pantoate_ligase) 		5 HIS A  30
GLY A  32
HIS A  33
GLY A 144
ASP A 147
 ANP  A 301 (-4.4A)
ANP  A 301 (-3.6A)
ANP  A 301 (-4.1A)
ANP  A 301 (-3.2A)
ANP  A 301 (-3.7A)
 0.93A 1qu2A-5ucrA:
2.7		 1qu2A-5ucrA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 5 HIS A  14
GLY A  16
HIS A  17
SER A 167
GLY A 195
 None
 0.95A 1qu2A-5y0sA:
undetectable		 1qu2A-5y0sA:
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 6 GLY A 153
HIS A 208
SER A 280
GLY A  98
ASP A 102
VAL A 156
 None
MN  A 501 ( 3.5A)
None
NDP  A 502 (-2.6A)
NDP  A 502 (-2.6A)
None
 1.27A 1qu2A-5yvsA:
undetectable		 1qu2A-5yvsA:
6.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A  20
HIS A  18
GLY A 261
ASP A 263
HIS A 290
PHE A 292
 ME8  A 801 (-3.6A)
ME8  A 801 (-3.8A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
ME8  A 801 (-4.9A)
 1.09A 1qu2A-6ax8A:
23.3		 1qu2A-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A  20
HIS A  21
GLY A 261
ASP A 263
HIS A 290
PHE A 292
 ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
ME8  A 801 (-4.9A)
 0.54A 1qu2A-6ax8A:
23.3		 1qu2A-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 6 HIS A  18
GLY A  20
HIS A  21
GLY A 261
ASP A 263
HIS A 290
 ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
 0.52A 1qu2A-6ax8A:
23.3		 1qu2A-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bqy TYROSINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		no annotation 5 HIS A  57
HIS A  60
GLY A 197
ASP A 199
GLN A 200
 None
 1.04A 1qu2A-6bqyA:
5.3		 1qu2A-6bqyA:
6.50