SIMILAR PATTERNS OF AMINO ACIDS FOR 1QU2_A_MRCA1993

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 GLU A 595
TRP A 645
LYS A 506
 None
 0.96A 1qu2A-1d8cA:
0.0		 1qu2A-1d8cA:
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		3 GLU A 377
TRP A 392
LYS A 504
 None
 1.32A 1qu2A-1ex0A:
undetectable		 1qu2A-1ex0A:
23.01
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		3 GLU A 355
TRP A 352
LYS A 137
 None
 1.04A 1qu2A-1g38A:
undetectable		 1qu2A-1g38A:
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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		3 GLU A 111
TRP A 230
LYS A 273
 GLC  A 672 (-2.7A)
GLC  A 672 (-4.2A)
None
 1.24A 1qu2A-1hsjA:
0.0		 1qu2A-1hsjA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hz4 MALT REGULATORY
PROTEIN

(Escherichia
coli) 		no annotation 3 GLU A  13
TRP A  46
LYS A  64
 None
 1.37A 1qu2A-1hz4A:
2.2		 1qu2A-1hz4A:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		3 GLU A 312
TRP A  62
LYS A 324
 None
 0.79A 1qu2A-1k32A:
0.0		 1qu2A-1k32A:
22.88
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.
1psw ADP-HEPTOSE LPS
HEPTOSYLTRANSFERASE
II

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		3 GLU A 190
TRP A  10
LYS A 167
 None
 1.25A 1qu2A-1pswA:
1.5		 1qu2A-1pswA:
15.88
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 GLU A 412
TRP A 397
LYS A 471
 None
 1.35A 1qu2A-1qlbA:
3.1		 1qu2A-1qlbA:
21.15
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		3 GLU A 577
TRP A 321
LYS A 605
 None
 1.37A 1qu2A-1qsaA:
undetectable		 1qu2A-1qsaA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6z CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND ARGONAUTE 2

(Drosophila
melanogaster;
Escherichia
coli) 		no annotation 3 GLU P 110
TRP P 229
LYS P 272
 MAL  P 727 (-2.8A)
MAL  P 727 ( 4.7A)
None
 1.21A 1qu2A-1r6zP:
undetectable		 1qu2A-1r6zP:
21.20
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.
1ril RIBONUCLEASE H

(Thermus
thermophilus) 		PF00075
(RNase_H) 		3 GLU A  54
TRP A  22
LYS A  87
 None
 1.35A 1qu2A-1rilA:
undetectable		 1qu2A-1rilA:
10.66
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		3 GLU A 407
TRP A 465
LYS A 749
 None
 0.82A 1qu2A-1rw9A:
3.1		 1qu2A-1rw9A:
21.68
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		3 GLU A 333
TRP A 368
LYS A 153
 None
 1.30A 1qu2A-1ryyA:
undetectable		 1qu2A-1ryyA:
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.
1u3h T-CELL RECEPTOR
ALPHA-CHAIN

(Mus musculus) 		PF07686
(V-set) 		3 GLU A  16
TRP A  13
LYS A  72
 None
 1.43A 1qu2A-1u3hA:
undetectable		 1qu2A-1u3hA:
7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x3w PEPTIDE:N-GLYCANASE

(Saccharomyces
cerevisiae) 		PF03835
(Rad4) 		3 GLU A 238
TRP A 251
LYS A  94
 SUC  A1001 ( 3.0A)
SUC  A1001 ( 4.3A)
None
 1.27A 1qu2A-1x3wA:
undetectable		 1qu2A-1x3wA:
16.32
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 GLC  A 371 (-2.9A)
GLC  A 371 ( 4.6A)
None
 1.23A 1qu2A-1y4cA:
3.1		 1qu2A-1y4cA:
19.78
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		3 GLU A 128
TRP A 124
LYS A  96
 None
 0.95A 1qu2A-2amxA:
undetectable		 1qu2A-2amxA:
18.58
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.
2esn PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		3 GLU A  88
TRP A  89
LYS A 300
 None
 1.19A 1qu2A-2esnA:
undetectable		 1qu2A-2esnA:
16.65
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 GLU A  80
TRP A 119
LYS A 310
 None
 1.15A 1qu2A-2f3oA:
undetectable		 1qu2A-2f3oA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 GLU A 356
TRP A 269
LYS A 414
 None
 1.39A 1qu2A-2f7lA:
undetectable		 1qu2A-2f7lA:
20.15
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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 3 GLU L 365
TRP L 304
LYS L  31
 None
 1.22A 1qu2A-2frvL:
2.4		 1qu2A-2frvL:
20.80
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		3 GLU A 597
TRP A 647
LYS A 513
 None
 1.06A 1qu2A-2gq3A:
undetectable		 1qu2A-2gq3A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k2o MYOFERLIN

(Homo sapiens) 		no annotation 3 GLU A 994
TRP A1008
LYS A 918
 None
 1.29A 1qu2A-2k2oA:
undetectable		 1qu2A-2k2oA:
9.66
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		3 GLU A  40
TRP A 251
LYS A 140
 None
 1.32A 1qu2A-2qa1A:
undetectable		 1qu2A-2qa1A:
19.50
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.
2rvn CHROMOBOX PROTEIN
HOMOLOG 5

(Mus musculus) 		PF00385
(Chromo) 		3 GLU A  52
TRP A  41
LYS A  72
 None
 1.35A 1qu2A-2rvnA:
undetectable		 1qu2A-2rvnA:
7.94
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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT GAMMA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF04358
(DsrC) 		3 GLU A 204
TRP A 366
LYS C  48
 None
 0.75A 1qu2A-2v4jA:
undetectable		 1qu2A-2v4jA:
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 GLU A 503
TRP A 568
LYS A 141
 None
 1.39A 1qu2A-2wd9A:
undetectable		 1qu2A-2wd9A:
19.83
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.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		3 GLU A 229
TRP A 232
LYS A 336
 None
 1.37A 1qu2A-2z95A:
1.9		 1qu2A-2z95A:
16.54
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 MAL  A 466 (-3.1A)
MAL  A 466 (-3.7A)
None
 1.43A 1qu2A-3a3cA:
undetectable		 1qu2A-3a3cA:
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 GLU A 161
TRP A 164
LYS A 102
 None
 1.26A 1qu2A-3aoeA:
undetectable		 1qu2A-3aoeA:
18.02
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.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		3 GLU A1456
TRP A1249
LYS A1422
 None
 1.33A 1qu2A-3bqlA:
undetectable		 1qu2A-3bqlA:
16.68
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
ACETYL-COA
DECARBOXYLASE/SYNTHA
SE EPSILON SUBUNIT

(Methanosarcina
barkeri) 		PF02552
(CO_dh)
PF03063
(Prismane) 		3 GLU A 771
TRP A 746
LYS G  59
 None
 1.41A 1qu2A-3cf4A:
undetectable		 1qu2A-3cf4A:
22.04
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.
3f2z UNCHARACTERIZED
PROTEIN BF3579

(Bacteroides
fragilis) 		PF00754
(F5_F8_type_C) 		3 GLU A 312
TRP A 335
LYS A 293
 None
 1.29A 1qu2A-3f2zA:
undetectable		 1qu2A-3f2zA:
10.83
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.
3h3l PUTATIVE SUGAR
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		3 GLU A 111
TRP A  52
LYS A  86
 None
 1.40A 1qu2A-3h3lA:
undetectable		 1qu2A-3h3lA:
13.30
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.
3j82 C-TYPE LECTIN DOMAIN
FAMILY 9 MEMBER A

(Mus musculus) 		PF00059
(Lectin_C) 		3 GLU A 212
TRP A 158
LYS A 134
 None
 0.85A 1qu2A-3j82A:
undetectable		 1qu2A-3j82A:
8.17
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.
3k4z GLYCOSIDE HYDROLASE
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9)
PF02927
(CelD_N) 		3 GLU A 112
TRP A 118
LYS A 177
 XGP  A 295 ( 4.8A)
None
None
 1.02A 1qu2A-3k4zA:
undetectable		 1qu2A-3k4zA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kf6 PROTEIN STN1

(Schizosaccharomyces
pombe) 		PF10451
(Stn1) 		3 GLU A 132
TRP A 136
LYS A  65
 None
 1.42A 1qu2A-3kf6A:
undetectable		 1qu2A-3kf6A:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		3 GLU A-233
TRP A-114
LYS A -71
 MAL  A 194 (-2.9A)
MAL  A 194 ( 4.6A)
None
 1.20A 1qu2A-3l2jA:
undetectable		 1qu2A-3l2jA:
21.04
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		3 GLU A 294
TRP A 342
LYS A 129
 None
 1.34A 1qu2A-3lm3A:
undetectable		 1qu2A-3lm3A:
19.42
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		3 GLU A  83
TRP A  82
LYS A 374
 None
 1.40A 1qu2A-3o98A:
undetectable		 1qu2A-3o98A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
SULFITE REDCUTASE
SUBUNIT GAMA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR)
PF04358
(DsrC) 		3 GLU A 204
TRP A 366
LYS C  48
 None
 0.89A 1qu2A-3or2A:
undetectable		 1qu2A-3or2A:
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.
3p6b CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF02018
(CBM_4_9) 		3 GLU A 132
TRP A 138
LYS A 197
 None
 1.05A 1qu2A-3p6bA:
undetectable		 1qu2A-3p6bA:
12.42
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		3 GLU A  87
TRP A 101
LYS A 120
 None
 1.41A 1qu2A-3rh9A:
undetectable		 1qu2A-3rh9A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		3 GLU A2052
TRP A2048
LYS A2279
 None
 1.23A 1qu2A-3sbgA:
undetectable		 1qu2A-3sbgA:
19.94
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		3 GLU A  61
TRP A  56
LYS A 137
 None
 1.26A 1qu2A-3szbA:
undetectable		 1qu2A-3szbA:
19.16
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.
3tb5 METHIONINE
AMINOPEPTIDASE

(Enterococcus
faecalis) 		PF00557
(Peptidase_M24) 		3 GLU A  41
TRP A  38
LYS A 127
 None
 1.38A 1qu2A-3tb5A:
undetectable		 1qu2A-3tb5A:
13.43
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		3 GLU B1147
TRP B1155
LYS B1036
 None
 1.20A 1qu2A-3u44B:
undetectable		 1qu2A-3u44B:
22.45
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.
3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2

(Escherichia
coli;
Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 MTT  A1205 (-2.9A)
MTT  A1205 (-4.3A)
None
 1.29A 1qu2A-3vd8A:
undetectable		 1qu2A-3vd8A:
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.
4dag FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		3 GLU A 431
TRP A 309
LYS A 401
 None
 1.39A 1qu2A-4dagA:
undetectable		 1qu2A-4dagA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		3 GLU A 253
TRP A 263
LYS A 413
 None
 1.12A 1qu2A-4dwqA:
undetectable		 1qu2A-4dwqA:
20.78
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.
4edq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MYOSIN-BINDI
NG PROTEIN C,
CARDIAC-TYPE
CHIMERIC PROTEIN

(Escherichia
coli;
Mus musculus) 		PF07679
(I-set)
PF13416
(SBP_bac_8) 		3 GLU A 112
TRP A 231
LYS A 274
 MLR  A 500 (-2.2A)
MLR  A 500 (-4.2A)
None
 1.20A 1qu2A-4edqA:
undetectable		 1qu2A-4edqA:
21.15
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.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 GLU A 370
TRP A 343
LYS A  34
 None
 1.40A 1qu2A-4eqvA:
undetectable		 1qu2A-4eqvA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		3 GLU A 112
TRP A 231
LYS A 274
 MAL  A 501 (-2.9A)
MAL  A 501 ( 4.6A)
None
 1.31A 1qu2A-4ikmA:
undetectable		 1qu2A-4ikmA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jen CMP N-GLYCOSIDASE

(Clostridium
botulinum) 		no annotation 3 GLU A  92
TRP A  95
LYS A 141
 None
 1.32A 1qu2A-4jenA:
undetectable		 1qu2A-4jenA:
12.10
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		3 GLU A 582
TRP A 420
LYS A   6
 None
 1.40A 1qu2A-4l22A:
undetectable		 1qu2A-4l22A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		3 GLU A 113
TRP A 232
LYS A 275
 MAL  A1201 (-3.1A)
MAL  A1201 ( 4.6A)
None
 1.20A 1qu2A-4my2A:
undetectable		 1qu2A-4my2A:
20.48
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.
4nuf MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
NUCLEAR RECEPTOR
SUBFAMILY 0 GROUP B
MEMBER 2 CHIMERIC
CONSTRUCT

(Escherichia
coli;
Mus musculus) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		3 GLU A 113
TRP A 232
LYS A 275
 MAL  A1301 (-2.8A)
MAL  A1301 (-4.6A)
None
 1.34A 1qu2A-4nufA:
undetectable		 1qu2A-4nufA:
21.18
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.
4o6d NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		3 GLU B 270
TRP B 330
LYS B  33
 None
 1.04A 1qu2A-4o6dB:
undetectable		 1qu2A-4o6dB:
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.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		3 GLU A1456
TRP A1249
LYS A1422
 None
 1.22A 1qu2A-4p1tA:
undetectable		 1qu2A-4p1tA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		3 GLU A1855
TRP A1802
LYS A1523
 None
 1.30A 1qu2A-4p1tA:
undetectable		 1qu2A-4p1tA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		3 GLU A 258
TRP A  11
LYS A  88
 None
 1.00A 1qu2A-4p72A:
undetectable		 1qu2A-4p72A:
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 GLU A 152
TRP A 129
LYS A 502
 BMA  A 603 ( 3.2A)
BMA  A 603 ( 4.2A)
None
 1.39A 1qu2A-4pfyA:
undetectable		 1qu2A-4pfyA:
20.47
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.
4pxg TYPE-2 RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		PF02976
(MutH) 		3 GLU A 152
TRP A 151
LYS A 244
 None
 0.96A 1qu2A-4pxgA:
undetectable		 1qu2A-4pxgA:
19.18
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.
4wrn MALTOSE-BINDING
PERIPLASMIC
PROTEIN,UROMODULIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		3 GLU A 135
TRP A 254
LYS A 297
 MAL  A 801 (-2.8A)
MAL  A 801 ( 3.6A)
None
 1.05A 1qu2A-4wrnA:
undetectable		 1qu2A-4wrnA:
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.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 MLR  A1201 (-3.1A)
MLR  A1201 (-4.4A)
None
 1.19A 1qu2A-4xa2A:
undetectable		 1qu2A-4xa2A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xai MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		3 GLU A 113
TRP A 232
LYS A 275
 MAL  A1401 (-3.0A)
MAL  A1401 (-4.3A)
None
 1.37A 1qu2A-4xaiA:
2.2		 1qu2A-4xaiA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		3 GLU B  64
TRP B  67
LYS B 116
 None
 1.25A 1qu2A-4yjfB:
undetectable		 1qu2A-4yjfB:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin)
PF08672
(ANAPC2)
PF12859
(ANAPC1) 		3 GLU A1782
TRP A1674
LYS N 320
 None
 1.36A 1qu2A-5a31A:
3.8		 1qu2A-5a31A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		3 GLU A  91
TRP A 128
LYS O 573
 None
 1.32A 1qu2A-5a31A:
3.8		 1qu2A-5a31A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 GLU A 132
TRP A 161
LYS A 369
 None
 1.33A 1qu2A-5bwdA:
undetectable		 1qu2A-5bwdA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		3 GLU A  88
TRP A 102
LYS A 273
 None
 1.31A 1qu2A-5c9lA:
undetectable		 1qu2A-5c9lA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		3 GLU A 136
TRP A 150
LYS A 320
 None
None
PG4  A 407 ( 4.7A)
 1.41A 1qu2A-5c9lA:
undetectable		 1qu2A-5c9lA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cfv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MALTOSE-BIND
ING PERIPLASMIC
PROTEIN,PILA FUSION
PROTEIN

(Acinetobacter
nosocomialis;
Escherichia
coli) 		PF00114
(Pilin)
PF01547
(SBP_bac_1) 		3 GLU A 111
TRP A 230
LYS A 273
 MAL  A1201 (-3.0A)
MAL  A1201 ( 4.5A)
None
 1.24A 1qu2A-5cfvA:
undetectable		 1qu2A-5cfvA:
20.43
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 MAL  A 601 (-3.0A)
MAL  A 601 ( 4.9A)
None
 1.28A 1qu2A-5dfmA:
undetectable		 1qu2A-5dfmA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 GLU A 137
TRP A 176
LYS A 373
 None
 1.06A 1qu2A-5favA:
undetectable		 1qu2A-5favA:
21.10
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.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		3 GLU A  91
TRP A  45
LYS A 282
 None
 1.44A 1qu2A-5fuuA:
undetectable		 1qu2A-5fuuA:
19.08
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.
5hzv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		3 GLU A 478
TRP A 597
LYS A 640
 MAL  A1001 (-3.1A)
MAL  A1001 (-4.8A)
None
 1.18A 1qu2A-5hzvA:
undetectable		 1qu2A-5hzvA:
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.
5ii5 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		3 GLU A3778
TRP A3897
LYS A3940
 MAL  A4201 (-3.0A)
MAL  A4201 ( 3.3A)
None
 1.24A 1qu2A-5ii5A:
undetectable		 1qu2A-5ii5A:
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.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		3 GLU A4080
TRP A4199
LYS A4242
 MAL  A4501 (-2.7A)
MAL  A4501 ( 3.7A)
None
 1.34A 1qu2A-5iicA:
undetectable		 1qu2A-5iicA:
19.87
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.
5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Escherichia
coli;
Mus musculus) 		PF00027
(cNMP_binding)
PF13416
(SBP_bac_8) 		3 GLU A-258
TRP A-139
LYS A -96
 MAL  A 701 (-2.9A)
MAL  A 701 ( 4.5A)
None
 1.24A 1qu2A-5jonA:
undetectable		 1qu2A-5jonA:
20.22
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		3 GLU A 165
TRP A 588
LYS A 137
 None
 1.36A 1qu2A-5jxrA:
undetectable		 1qu2A-5jxrA:
21.58
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.
5loq PUTATIVE
HEME-DEPENDENT
PEROXIDASE LMO2113

(Listeria
monocytogenes) 		PF06778
(Chlor_dismutase) 		3 GLU A  57
TRP A  11
LYS A  67
 None
 1.41A 1qu2A-5loqA:
undetectable		 1qu2A-5loqA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msn DCC1 PROTEIN

(Saccharomyces
cerevisiae) 		PF09724
(Dcc1) 		3 GLU A 232
TRP A 250
LYS A 134
 None
 1.38A 1qu2A-5msnA:
undetectable		 1qu2A-5msnA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mxf PHOTORHABDUS
ASYMBIOTICA LECTIN
PHL

(Photorhabdus
asymbiotica) 		PF03984
(DUF346) 		3 GLU A  93
TRP A 107
LYS A 277
 None
 1.41A 1qu2A-5mxfA:
undetectable		 1qu2A-5mxfA:
17.95
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 3 GLU A 271
TRP A 194
LYS A 113
 None
1PE  A 709 ( 4.4A)
None
 1.33A 1qu2A-5n6vA:
undetectable		 1qu2A-5n6vA:
6.54
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 3 GLU A 595
TRP A 645
LYS A 511
 None
 1.06A 1qu2A-5oasA:
undetectable		 1qu2A-5oasA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		3 GLU A1686
TRP A1762
LYS A1622
 None
 1.30A 1qu2A-5t8vA:
1.6		 1qu2A-5t8vA:
21.18
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.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		3 GLU A 111
TRP A 230
LYS A 273
 MAL  A1501 (-3.0A)
MAL  A1501 ( 4.6A)
None
 1.20A 1qu2A-5tj2A:
undetectable		 1qu2A-5tj2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		3 GLU A 242
TRP A 203
LYS A  -1
 None
 1.42A 1qu2A-5tqiA:
undetectable		 1qu2A-5tqiA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN

(Escherichia
coli;
Streptococcus
pyogenes) 		PF12892
(FctA)
PF13416
(SBP_bac_8) 		3 GLU A 117
TRP A 236
LYS A 279
 MLR  A 501 (-2.8A)
MLR  A 501 ( 4.6A)
None
 1.30A 1qu2A-5ttdA:
undetectable		 1qu2A-5ttdA:
20.82
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.
5xxu RIBOSOMAL PROTEIN
US5

(Toxoplasma
gondii) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		3 GLU C  67
TRP C  37
LYS C 127
 None
None
U  21285 ( 3.1A)
 1.41A 1qu2A-5xxuC:
undetectable		 1qu2A-5xxuC:
14.77
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.
5yf0 -

(-) 		no annotation 3 GLU A 217
TRP A 216
LYS A 395
 None
 1.32A 1qu2A-5yf0A:
undetectable		 1qu2A-5yf0A:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		3 GLU A 601
TRP A 651
LYS A 517
 None
 1.04A 1qu2A-6axeA:
undetectable		 1qu2A-6axeA:
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 3 GLU G  24
TRP G  21
LYS G 411
 None
 1.29A 1qu2A-6c66G:
undetectable		 1qu2A-6c66G:
6.68
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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 3 GLU A 428
TRP A 401
LYS A 481
 None
 1.42A 1qu2A-6ei1A:
1.3		 1qu2A-6ei1A:
7.02
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 3 GLU A 595
TRP A 352
LYS A 295
 CA  A 801 (-2.9A)
None
None
 1.32A 1qu2A-6f8zA:
3.3		 1qu2A-6f8zA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 3 GLU A 618
TRP A 444
LYS A 751
 None
 1.01A 1qu2A-6fikA:
undetectable		 1qu2A-6fikA:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 5
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
3, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL

(Mus musculus) 		no annotation 3 GLU C  91
TRP V 111
LYS Q 108
 None
 1.31A 1qu2A-6g2jC:
undetectable		 1qu2A-6g2jC:
5.13
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.
6gne -

(-) 		no annotation 3 GLU A 113
TRP A 122
LYS A  52
 None
 1.09A 1qu2A-6gneA:
2.3		 1qu2A-6gneA:
undetectable