SIMILAR PATTERNS OF AMINO ACIDS FOR 1PG2_A_ADNA552

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.
1coz PROTEIN
(GLYCEROL-3-PHOSPHAT
E
CYTIDYLYLTRANSFERASE
)

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 HIS A  14
GLY A  16
HIS A  17
GLY A  92
ASP A  94
 CTP  A 130 (-4.2A)
CTP  A 130 ( 4.1A)
CTP  A 130 (-3.7A)
CTP  A 130 (-3.3A)
CTP  A 130 (-3.9A)
 0.72A 1pg2A-1cozA:
5.4		 1pg2A-1cozA:
12.70
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.
1f7u ARGINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 159
GLY A 161
HIS A 162
ILE A 371
VAL A 405
 None
None
None
ARG  A 800 (-4.2A)
None
 0.70A 1pg2A-1f7uA:
21.7		 1pg2A-1f7uA:
21.65
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 242
GLY A 450
ASP A 452
ILE A 453
HIS A 449
 None
 0.84A 1pg2A-1gz7A:
2.2		 1pg2A-1gz7A:
21.90
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  52
GLY A  54
HIS A  55
GLY A 194
ASP A 196
 ATP  A1433 (-4.3A)
ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.2A)
ATP  A1433 ( 4.2A)
 0.43A 1pg2A-1h3eA:
10.1		 1pg2A-1h3eA:
23.64
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  54
GLY A  56
HIS A  57
GLY A 551
ASP A 553
 None
 0.87A 1pg2A-1ileA:
19.4		 1pg2A-1ileA:
22.47
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  54
HIS A  57
GLY A 551
ASP A 553
HIS A 581
 None
 0.84A 1pg2A-1ileA:
19.4		 1pg2A-1ileA:
22.47
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 HIS A  35
GLY A  37
GLU A  41
GLY A 237
ASP A 239
 None
 0.63A 1pg2A-1irxA:
14.2		 1pg2A-1irxA:
23.04
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.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 HIS A  35
GLY A  37
GLU A  41
GLY A 237
VAL A 271
 None
 0.76A 1pg2A-1irxA:
14.2		 1pg2A-1irxA:
23.04
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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  47
GLY A  49
HIS A  50
GLY A 193
ASP A 195
 None
None
545  A 421 (-3.7A)
545  A 421 (-3.6A)
545  A 421 (-2.9A)
 0.52A 1pg2A-1jikA:
9.3		 1pg2A-1jikA:
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.
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)
 0.34A 1pg2A-1k4mA:
4.9		 1pg2A-1k4mA:
16.64
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.
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
 0.79A 1pg2A-1n2oA:
5.6		 1pg2A-1n2oA:
19.38
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 HIS A  44
HIS A  47
GLY A 158
ASP A 161
VAL A 187
 SO4  A 601 (-3.9A)
SO4  A 601 ( 4.9A)
None
None
None
 1.09A 1pg2A-1n2oA:
5.6		 1pg2A-1n2oA:
19.38
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 244
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
 1.10A 1pg2A-1o2dA:
undetectable		 1pg2A-1o2dA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 HIS A  49
GLY A  51
HIS A  52
GLY A 537
VAL A 577
 SO4  A1506 (-4.2A)
LMS  A1817 (-3.5A)
LMS  A1817 ( 4.3A)
LMS  A1817 ( 3.7A)
LMS  A1817 (-4.0A)
 0.82A 1pg2A-1obhA:
27.7		 1pg2A-1obhA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 HIS A  49
GLY A  51
HIS A  52
GLY A 538
VAL A 577
 SO4  A1506 (-4.2A)
LMS  A1817 (-3.5A)
LMS  A1817 ( 4.3A)
LMS  A1817 ( 4.1A)
LMS  A1817 (-4.0A)
 0.56A 1pg2A-1obhA:
27.7		 1pg2A-1obhA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 GLY A  66
HIS A  64
GLY A 555
ASP A 557
HIS A 585
VAL A 588
 MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.9A)
 1.33A 1pg2A-1qu2A:
22.5		 1pg2A-1qu2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 GLY A  66
HIS A  67
GLY A 555
ASP A 557
HIS A 585
VAL A 588
 MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.9A)
 0.72A 1pg2A-1qu2A:
22.5		 1pg2A-1qu2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 HIS A  64
GLY A  66
HIS A  67
ASP A 557
HIS A 585
VAL A 588
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.9A)
 0.90A 1pg2A-1qu2A:
22.5		 1pg2A-1qu2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		6 ALA A   9
HIS A  18
GLY A  20
HIS A  21
GLY A 296
TYR A 337
 None
 0.63A 1pg2A-1rqgA:
36.5		 1pg2A-1rqgA:
29.52
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		6 HIS A  18
GLY A  20
HIS A  21
GLY A 296
ASP A 298
TYR A 337
 None
 0.98A 1pg2A-1rqgA:
36.5		 1pg2A-1rqgA:
29.52
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.
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
 0.67A 1pg2A-1t6xA:
4.0		 1pg2A-1t6xA:
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 144
GLY A 140
ASP A 138
ILE A 141
VAL A 131
 None
 1.18A 1pg2A-1to6A:
undetectable		 1pg2A-1to6A:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyd TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS E  45
GLY E  47
HIS E  48
GLY E 192
ASP E 194
 None
 0.54A 1pg2A-1tydE:
9.2		 1pg2A-1tydE:
21.22
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 HIS A  29
GLY A  31
HIS A  32
ASP A 146
VAL A 172
 CL  A1002 (-4.8A)
None
GOL  A1300 (-4.6A)
None
None
 0.81A 1pg2A-1ufvA:
4.9		 1pg2A-1ufvA:
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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS A  48
GLY A  50
HIS A  51
GLY A 198
ASP A 200
 SO4  A2003 (-3.9A)
YSA  A3001 (-3.3A)
YSA  A3001 ( 3.8A)
YSA  A3001 (-3.0A)
YSA  A3001 (-3.2A)
 0.36A 1pg2A-1vbmA:
9.3		 1pg2A-1vbmA:
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 ALA A  41
HIS A  50
GLY A  52
HIS A  53
GLY A 610
ASP A 612
 None
 0.63A 1pg2A-1wkbA:
28.8		 1pg2A-1wkbA:
21.14
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ALA A  24
HIS A 247
GLY A 120
HIS A  95
ILE A 101
 None
PGO  A 601 ( 4.7A)
None
PGO  A 601 ( 4.8A)
None
 1.01A 1pg2A-1womA:
2.3		 1pg2A-1womA:
19.64
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 ALA A  41
HIS A  50
GLY A  52
HIS A  53
GLY A 610
ASP A 612
 None
 0.74A 1pg2A-1wz2A:
28.2		 1pg2A-1wz2A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqm KINDLING FLUORESCENT
PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 GLY A 219
HIS A 193
GLU A 145
HIS A 197
VAL A 218
 None
None
CH6  A  63 ( 3.3A)
CH6  A  63 ( 3.5A)
None
 1.14A 1pg2A-1xqmA:
undetectable		 1pg2A-1xqmA:
17.20
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.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 338
GLY A 249
HIS A 332
GLY A 188
VAL A 246
 NAP  A 900 (-3.6A)
None
None
NAP  A 900 (-2.8A)
None
 1.13A 1pg2A-1ys4A:
undetectable		 1pg2A-1ys4A:
20.70
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 ALA A 164
GLY A 233
GLU A 166
ILE A 123
HIS A  94
 None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
 1.18A 1pg2A-2btmA:
undetectable		 1pg2A-2btmA:
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		7 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
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 (-4.1A)
MSP  A 501 (-4.4A)
 0.55A 1pg2A-2ct8A:
40.6		 1pg2A-2ct8A:
28.37
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  46
GLY A  48
HIS A  49
GLY A 177
ASP A 179
 None
 0.73A 1pg2A-2cybA:
10.8		 1pg2A-2cybA:
21.08
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.
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
 1.17A 1pg2A-2cycA:
8.9		 1pg2A-2cycA:
21.57
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.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  47
GLY A  49
GLY A 187
ASP A 189
HIS A 223
 None
 0.59A 1pg2A-2cycA:
8.9		 1pg2A-2cycA:
21.57
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 HIS X  53
GLY X  55
GLY X 189
ASP X 191
VAL X 219
 YMP  X 601 (-4.3A)
YMP  X 601 (-3.5A)
YMP  X 601 (-2.8A)
YMP  X 601 (-3.2A)
YMP  X 601 (-3.8A)
 0.66A 1pg2A-2dlcX:
10.0		 1pg2A-2dlcX:
22.24
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.
2h29 PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		5 HIS A  15
HIS A  18
GLY A 106
ASP A 108
VAL A 152
 None
DND  A 998 ( 4.6A)
DND  A 998 (-3.1A)
DND  A 998 (-3.0A)
None
 0.68A 1pg2A-2h29A:
5.7		 1pg2A-2h29A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF03054
(tRNA_Me_trans) 		5 HIS A 280
GLY A 275
GLY A 227
TYR A 273
VAL A 274
 None
 1.14A 1pg2A-2hmaA:
undetectable		 1pg2A-2hmaA:
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 HIS A  47
GLY A  49
HIS A  50
GLY A 194
ASP A 196
 None
 0.79A 1pg2A-2janA:
4.9		 1pg2A-2janA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.35A 1pg2A-2pidA:
8.4		 1pg2A-2pidA:
20.81
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.
2qm1 GLUCOKINASE

(Enterococcus
faecalis) 		PF00480
(ROK) 		5 ALA A 161
GLY A 165
GLY A 146
ILE A 147
VAL A 143
 None
None
MG  A1007 ( 4.2A)
None
None
 1.17A 1pg2A-2qm1A:
undetectable		 1pg2A-2qm1A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qtn NICOTINATE
(NICOTINAMIDE)
NUCLEOTIDE
ADENYLYLTRANSFERASE

(Bacillus
anthracis) 		PF01467
(CTP_transf_like) 		5 HIS A  15
GLY A  17
HIS A  18
GLY A 106
ILE A 105
 None
 1.15A 1pg2A-2qtnA:
3.8		 1pg2A-2qtnA:
17.64
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.
2rkj TYROSYL-TRNA
SYNTHETASE

(Neurospora
crassa) 		PF00579
(tRNA-synt_1b) 		5 HIS A 110
GLY A 112
HIS A 113
GLY A 270
ASP A 272
 None
 0.79A 1pg2A-2rkjA:
8.1		 1pg2A-2rkjA:
21.27
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.
2ts1 TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  45
GLY A  47
HIS A  48
GLY A 192
ASP A 194
 None
 0.57A 1pg2A-2ts1A:
9.1		 1pg2A-2ts1A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		8 ALA A  10
GLY A  21
HIS A  22
GLU A  25
GLY A 263
ASP A 265
ILE A 266
HIS A 292
 MET  A 600 ( 3.9A)
None
None
None
None
None
MET  A 600 (-3.9A)
None
 0.62A 1pg2A-2x1mA:
38.1		 1pg2A-2x1mA:
27.98
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.
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
 0.58A 1pg2A-2zufA:
18.3		 1pg2A-2zufA:
22.05
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 HIS A  35
GLY A  37
HIS A  38
ASP A 151
VAL A 177
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 (-4.2A)
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.9A)
 0.74A 1pg2A-3ag6A:
4.9		 1pg2A-3ag6A:
19.68
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.
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)
 0.42A 1pg2A-3c8zA:
23.7		 1pg2A-3c8zA:
23.22
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.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		5 ALA A 196
GLY A 186
GLY A 183
ILE A 182
TYR A 214
 None
 1.17A 1pg2A-3dltA:
undetectable		 1pg2A-3dltA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		5 GLY A  25
HIS A 262
GLY A 144
HIS A 147
VAL A  21
 None
ZN  A 301 ( 3.5A)
PO4  A 305 ( 3.9A)
None
None
 1.12A 1pg2A-3e0fA:
undetectable		 1pg2A-3e0fA:
20.83
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.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA A 922
GLY A 805
GLY A 919
ILE A 954
VAL A 679
 None
 1.06A 1pg2A-3eh1A:
undetectable		 1pg2A-3eh1A:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		9 ALA A  12
HIS A  21
GLY A  23
GLU A  27
GLY A 294
ILE A 297
HIS A 323
TYR A 325
VAL A 326
 None
 0.48A 1pg2A-3h9cA:
57.0		 1pg2A-3h9cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		9 ALA A  12
HIS A  21
GLY A  23
HIS A  24
GLU A  27
GLY A 294
ILE A 297
HIS A 323
VAL A 326
 None
 0.33A 1pg2A-3h9cA:
57.0		 1pg2A-3h9cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
ASP A 296
TYR A 325
VAL A 326
 None
 0.91A 1pg2A-3h9cA:
57.0		 1pg2A-3h9cA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-4.0A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 0.79A 1pg2A-3innA:
6.1		 1pg2A-3innA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.67A 1pg2A-3jxeA:
10.6		 1pg2A-3jxeA:
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		7 HIS A 225
GLY A 227
HIS A 228
GLY A 484
ASP A 486
ILE A 487
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 (-4.0A)
ME8  A 801 (-4.6A)
 0.66A 1pg2A-3kflA:
35.5		 1pg2A-3kflA:
26.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 ALA A 147
GLY A 332
HIS A  90
GLY A 329
ILE A 300
 None
None
CA  A 471 (-3.6A)
None
None
 1.03A 1pg2A-3lnpA:
undetectable		 1pg2A-3lnpA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 1pg2A-3mueA:
3.6		 1pg2A-3mueA:
21.31
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.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 GLU A 195
GLY A  77
HIS A  76
TYR A  86
VAL A  87
 DIH  A 500 (-2.9A)
None
None
None
None
 1.10A 1pg2A-3of3A:
undetectable		 1pg2A-3of3A:
20.08
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.
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)
 0.63A 1pg2A-3op1A:
5.0		 1pg2A-3op1A:
20.64
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.
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)
 0.93A 1pg2A-3q10A:
undetectable		 1pg2A-3q10A:
21.05
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.
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)
 0.83A 1pg2A-3uk2A:
undetectable		 1pg2A-3uk2A:
20.66
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.
3umv DEOXYRIBODIPYRIMIDIN
E PHOTO-LYASE

(Oryza sativa) 		PF00875
(DNA_photolyase) 		5 GLY A 436
GLY A 428
ASP A 422
TYR A 434
VAL A 435
 FAD  A 801 (-3.4A)
FAD  A 801 (-3.2A)
None
None
None
 1.19A 1pg2A-3umvA:
2.4		 1pg2A-3umvA:
21.57
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.
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)
 1.03A 1pg2A-3uy4A:
3.6		 1pg2A-3uy4A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		5 ALA A 121
GLY A 130
GLY A 158
HIS A 256
VAL A 259
 None
 1.02A 1pg2A-3vocA:
undetectable		 1pg2A-3vocA:
21.06
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		5 ALA A  63
GLY A 293
HIS A 292
GLY A  44
ILE A  71
 None
 1.03A 1pg2A-3w5fA:
undetectable		 1pg2A-3w5fA:
22.46
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 GLY A 118
GLY A 141
ASP A 163
ILE A 140
VAL A 195
 None
 1.03A 1pg2A-3wryA:
3.2		 1pg2A-3wryA:
21.37
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 ALA A 365
HIS A 326
ASP A 323
ILE A 273
VAL A 404
 BGC  A 602 (-3.4A)
BGC  A 604 (-4.2A)
None
BGC  A 602 (-4.3A)
None
 1.13A 1pg2A-4avoA:
undetectable		 1pg2A-4avoA:
22.22
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.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 ALA A 269
GLY A 277
GLY A 311
ASP A 313
ILE A 312
 None
None
None
MG  A 600 (-3.1A)
None
 1.16A 1pg2A-4ay7A:
undetectable		 1pg2A-4ay7A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 202
GLY A 198
GLY A 118
ILE A 117
VAL A 113
 None
 0.97A 1pg2A-4f32A:
undetectable		 1pg2A-4f32A:
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.
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
 0.67A 1pg2A-4g6zA:
18.6		 1pg2A-4g6zA:
24.88
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A 317
GLY A 319
HIS A 320
GLY A 453
ASP A 455
 None
TYM  A 701 (-3.6A)
TYM  A 701 ( 4.8A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
 0.51A 1pg2A-4j75A:
11.6		 1pg2A-4j75A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM

(Caldanaerobacter
subterraneus) 		PF01891
(CbiM) 		5 ALA A  68
GLY A 203
GLU A 198
ILE A  53
VAL A 206
 None
HEZ  A 306 ( 4.0A)
None
HEZ  A 322 ( 4.9A)
None
 1.15A 1pg2A-4m5bA:
undetectable		 1pg2A-4m5bA:
16.38
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS B  48
GLY B  50
HIS B  51
GLY B 198
ASP B 200
 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)
 0.75A 1pg2A-4oudB:
8.2		 1pg2A-4oudB:
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.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  20
GLY A  22
HIS A  23
ILE A 273
HIS A 299
 ATP  A 602 (-4.5A)
ATP  A 602 (-3.6A)
ATP  A 602 (-3.9A)
3BG  A 601 ( 3.9A)
ATP  A 602 (-4.6A)
 0.52A 1pg2A-4qreA:
38.6		 1pg2A-4qreA:
28.81
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.
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)
 0.48A 1pg2A-4wsoA:
5.3		 1pg2A-4wsoA:
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.
4zb1 BLUE CHROMOPROTEIN,
SGBP

(Stichodactyla
gigantea) 		PF01353
(GFP) 		5 GLY A 218
HIS A 192
GLU A 144
HIS A 196
VAL A 217
 None
None
CRQ  A  62 ( 3.5A)
CRQ  A  62 ( 3.7A)
None
 1.13A 1pg2A-4zb1A:
undetectable		 1pg2A-4zb1A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5af7 ACYL-COA
DEHYDROGENASE

(Advenella
mimigardefordensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 330
GLY A 249
GLY A 256
ILE A 257
VAL A  69
 None
 1.14A 1pg2A-5af7A:
2.4		 1pg2A-5af7A:
20.14
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.
5db4 NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01467
(CTP_transf_like) 		5 HIS A  19
GLY A  21
HIS A  22
GLY A 110
ASP A 112
 ATP  A 301 (-4.0A)
ATP  A 301 (-3.7A)
ATP  A 301 (-4.0A)
ATP  A 301 (-3.0A)
ATP  A 301 (-3.2A)
 0.64A 1pg2A-5db4A:
5.4		 1pg2A-5db4A:
18.17
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.
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)
 0.79A 1pg2A-5ekdA:
9.2		 1pg2A-5ekdA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei) 		PF00121
(TIM) 		5 ALA A 164
GLY A 233
GLU A 166
ILE A 125
HIS A  96
 None
PGA  A 301 (-3.3A)
PGA  A 301 (-2.6A)
None
PGA  A 301 (-4.2A)
 1.12A 1pg2A-5eywA:
undetectable		 1pg2A-5eywA:
19.14
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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		5 HIS A 138
GLY A 140
HIS A 141
GLY A 297
ASP A 299
 None
 0.58A 1pg2A-5ihxA:
7.5		 1pg2A-5ihxA:
21.50
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 ALA A 115
HIS A 125
GLY A 127
HIS A 128
GLY A 284
 None
 0.95A 1pg2A-5ijxA:
8.2		 1pg2A-5ijxA:
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.
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
 0.45A 1pg2A-5ijxA:
8.2		 1pg2A-5ijxA:
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.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		8 ALA A  11
GLY A  22
HIS A  23
GLU A  26
GLY A 262
ASP A 264
ILE A 265
HIS A 291
 415  A 601 ( 4.0A)
None
None
None
None
None
415  A 601 ( 4.0A)
None
 0.44A 1pg2A-5k0tA:
40.6		 1pg2A-5k0tA:
28.87
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		5 ALA A 280
GLY A 250
GLY A 290
ILE A 254
VAL A 339
 None
 1.01A 1pg2A-5lx0A:
undetectable		 1pg2A-5lx0A:
22.47
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 507
GLY B 499
GLY B 292
ILE B 291
TYR B 471
 None
 1.09A 1pg2A-5m45B:
undetectable		 1pg2A-5m45B:
21.71
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.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 7 HIS A 256
GLY A 258
HIS A 259
GLY A 516
ASP A 518
ILE A 519
HIS A 545
 None
None
None
None
None
MET  A 807 ( 4.4A)
None
 0.60A 1pg2A-5nfhA:
34.3		 1pg2A-5nfhA:
27.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.88A 1pg2A-5ucrA:
3.7		 1pg2A-5ucrA:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 ALA A   9
GLY A  20
GLY A 292
ASP A 294
ILE A 295
 MET  A 603 ( 4.0A)
None
None
None
MET  A 603 (-4.3A)
 0.39A 1pg2A-5urbA:
52.9		 1pg2A-5urbA:
58.24
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.
5x3d PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
wedmorensis) 		PF01467
(CTP_transf_like) 		5 HIS A  16
GLY A  18
HIS A  19
GLY A  92
ASP A  94
 7XL  A 201 (-4.4A)
7XL  A 201 ( 3.7A)
7XL  A 201 (-4.5A)
7XL  A 201 (-3.0A)
7XL  A 201 (-3.2A)
 0.48A 1pg2A-5x3dA:
5.4		 1pg2A-5x3dA:
14.18
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 ALA A 289
HIS A  92
GLY A 356
HIS A 357
GLY A 349
 HEM  A 501 ( 4.1A)
HEM  A 501 (-4.2A)
None
HEM  A 501 (-3.8A)
HEM  A 501 (-3.8A)
 0.96A 1pg2A-5yhjA:
undetectable		 1pg2A-5yhjA:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 ALA A 372
GLY A 172
HIS A 277
GLY A 377
ILE A 380
 None
 1.11A 1pg2A-5yvsA:
undetectable		 1pg2A-5yvsA:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 GLY A 261
HIS A 208
GLY A  98
ASP A 102
VAL A 156
 None
MN  A 501 ( 3.5A)
NDP  A 502 (-2.6A)
NDP  A 502 (-2.6A)
None
 1.17A 1pg2A-5yvsA:
undetectable		 1pg2A-5yvsA:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 9 ALA A   9
HIS A  18
GLY A  20
HIS A  21
GLU A  24
GLY A 261
ASP A 263
ILE A 264
HIS A 290
 ME8  A 801 ( 3.8A)
ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
ME8  A 801 (-4.3A)
ME8  A 801 (-3.6A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.1A)
ME8  A 801 (-4.7A)
 0.44A 1pg2A-6ax8A:
39.3		 1pg2A-6ax8A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A  20
HIS A  18
GLY A 261
ASP A 263
ILE A 264
HIS A 290
 ME8  A 801 (-3.6A)
ME8  A 801 (-3.8A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.1A)
ME8  A 801 (-4.7A)
 1.14A 1pg2A-6ax8A:
39.3		 1pg2A-6ax8A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 5 ALA B  22
GLY B  69
GLY B  25
TYR B 117
VAL B 118
 None
 1.17A 1pg2A-6b74B:
undetectable		 1pg2A-6b74B:
8.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9k DARP14 - SUBUNIT A
WITH DARPIN

(synthetic
construct) 		no annotation 5 ALA A 142
GLY A  71
GLU A  69
GLY A  78
ILE A  79
 None
 1.19A 1pg2A-6c9kA:
2.1		 1pg2A-6c9kA:
9.18
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.
6g7x -

(-) 		no annotation 5 GLU A 181
GLY A  63
HIS A  62
TYR A  72
VAL A  73
 PO4  A 304 ( 4.7A)
None
None
None
None
 1.09A 1pg2A-6g7xA:
undetectable		 1pg2A-6g7xA:
undetectable