SIMILAR PATTERNS OF AMINO ACIDS FOR 2X1L_B_ADNB601

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) 		7 ALA A  44
HIS A  52
GLY A  54
HIS A  55
GLY A 194
ASP A 196
LEU A 224
 ATP  A1433 (-3.8A)
ATP  A1433 (-4.3A)
ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.2A)
ATP  A1433 ( 4.2A)
ATP  A1433 (-4.5A)
 0.77A 2x1lB-1h3eA:
9.6		 2x1lB-1h3eA:
24.87
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.
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
 1.04A 2x1lB-1ihoA:
7.1		 2x1lB-1ihoA:
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 HIS A  54
GLY A  56
HIS A  57
GLY A 551
ASP A 553
HIS A 581
 None
 0.86A 2x1lB-1ileA:
21.6		 2x1lB-1ileA:
23.81
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.
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
 0.75A 2x1lB-1irxA:
14.5		 2x1lB-1irxA:
23.10
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 457
GLY A 138
GLY A 425
ILE A 175
LEU A 141
 None
 0.99A 2x1lB-1itzA:
2.5		 2x1lB-1itzA:
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 HIS A  42
GLY A  44
HIS A  45
GLY A 170
LEU A 196
 None
 0.68A 2x1lB-1j1uA:
10.8		 2x1lB-1j1uA:
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.
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)
 0.77A 2x1lB-1jikA:
9.2		 2x1lB-1jikA:
21.23
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.
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)
 0.52A 2x1lB-1k4mA:
4.7		 2x1lB-1k4mA:
16.10
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		5 GLY A 422
GLU A 630
GLY A 629
ILE A 626
LEU A 420
 None
 1.06A 2x1lB-1m1cA:
undetectable		 2x1lB-1m1cA:
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 GLY A 505
HIS A 584
GLU A 507
GLY A 508
LEU A 514
 None
 1.04A 2x1lB-1mz5A:
undetectable		 2x1lB-1mz5A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 HIS A  44
GLY A  46
HIS A  47
GLY A 158
ASP A 161
 SO4  A 601 (-3.9A)
None
SO4  A 601 ( 4.9A)
None
None
 1.00A 2x1lB-1n2oA:
6.8		 2x1lB-1n2oA:
24.05
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA A 433
ALA A 435
GLY A 120
GLY A 117
ILE A 447
 None
 1.00A 2x1lB-1ogyA:
undetectable		 2x1lB-1ogyA:
23.57
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.
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
GLY A 555
ASP A 557
HIS A 585
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
 0.69A 2x1lB-1qu2A:
24.2		 2x1lB-1qu2A:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A  15
GLY A 115
HIS A 113
ASP A  67
ILE A  69
 None
 1.01A 2x1lB-1rk2A:
undetectable		 2x1lB-1rk2A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 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
LEU A 338
 None
 0.79A 2x1lB-1rqgA:
34.2		 2x1lB-1rqgA:
25.75
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.
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
LEU A 338
 None
 1.14A 2x1lB-1rqgA:
34.2		 2x1lB-1rqgA:
25.75
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 ALA G 138
GLY G 196
GLY G 140
ILE G  16
HIS G  30
 None
 0.93A 2x1lB-1sgfG:
undetectable		 2x1lB-1sgfG:
17.42
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.
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
 0.65A 2x1lB-1tydE:
9.4		 2x1lB-1tydE:
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.
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)
 0.45A 2x1lB-1vbmA:
7.5		 2x1lB-1vbmA:
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.
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
 0.72A 2x1lB-1wkbA:
30.4		 2x1lB-1wkbA:
22.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		6 HIS A  19
GLY A  21
HIS A  22
GLY A 258
ASP A 260
ILE A 261
 None
 0.68A 2x1lB-1woyA:
46.6		 2x1lB-1woyA:
39.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  19
GLY A  21
HIS A  22
ILE A 261
LEU A 290
 None
 0.73A 2x1lB-1woyA:
46.6		 2x1lB-1woyA:
39.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ALA A  41
HIS A  50
HIS A  53
GLY A 610
ASP A 612
 None
 0.87A 2x1lB-1wz2A:
30.1		 2x1lB-1wz2A:
20.21
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.
1wz2 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
 0.67A 2x1lB-1wz2A:
30.1		 2x1lB-1wz2A:
20.21
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 HIS A 281
GLY A 280
GLY A  60
ILE A 134
LEU A 279
 None
 0.83A 2x1lB-1yzpA:
undetectable		 2x1lB-1yzpA:
22.39
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		6 ALA A 164
ALA A 230
GLY A 233
GLU A 166
ILE A 123
HIS A  94
 None
None
PGA  A 301 (-3.2A)
PGA  A 301 (-2.9A)
None
PGA  A 301 (-3.8A)
 1.05A 2x1lB-2btmA:
undetectable		 2x1lB-2btmA:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		8 HIS A  21
GLY A  23
HIS A  24
GLY A 257
ASP A 259
ILE A 260
HIS A 286
TRP A 288
 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)
MSP  A 501 (-3.5A)
 0.46A 2x1lB-2ct8A:
47.1		 2x1lB-2ct8A:
44.21
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.
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
 0.66A 2x1lB-2cybA:
7.4		 2x1lB-2cybA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 HIS A  46
GLY A  48
HIS A  49
GLY A 177
LEU A 207
 None
 0.65A 2x1lB-2cybA:
7.4		 2x1lB-2cybA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		6 HIS A  47
GLY A  49
GLY A 187
ASP A 189
HIS A 223
LEU A 226
 None
 0.78A 2x1lB-2cycA:
3.7		 2x1lB-2cycA:
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.
2dfa HYPOTHETICAL UPF0271
PROTEIN TTHB195

(Thermus
thermophilus) 		PF03746
(LamB_YcsF) 		5 ALA A  17
GLY A  10
GLU A  47
GLY A  43
LEU A  33
 None
 1.07A 2x1lB-2dfaA:
undetectable		 2x1lB-2dfaA:
19.81
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		5 ALA A 396
ALA A 393
GLY A 386
GLY A 379
ILE A 275
 None
 1.06A 2x1lB-2i2xA:
2.2		 2x1lB-2i2xA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.86A 2x1lB-2janA:
6.4		 2x1lB-2janA:
22.74
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.
2mqa MINOR AMPULLATE
FIBROIN 1

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 ALA A  47
ALA A  51
GLY A  78
GLY A  84
ILE A  87
 None
 0.82A 2x1lB-2mqaA:
undetectable		 2x1lB-2mqaA:
14.62
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.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A 202
HIS A 200
GLU A 277
ASP A 116
LEU A 203
 None
 1.00A 2x1lB-2o4vA:
undetectable		 2x1lB-2o4vA:
23.18
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.
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)
 0.44A 2x1lB-2pidA:
8.4		 2x1lB-2pidA:
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.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 ALA A 286
ALA A 284
GLY A 278
ILE A 256
LEU A 269
 None
 1.00A 2x1lB-2qi9A:
3.2		 2x1lB-2qi9A:
20.27
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ALA A 373
GLY A  10
GLY A 342
ASP A 203
ILE A 341
 None
ATP  A1002 (-3.5A)
ATP  A1002 (-3.3A)
MG  A1004 ( 3.7A)
None
 0.92A 2x1lB-2qxlA:
undetectable		 2x1lB-2qxlA:
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.
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
 0.87A 2x1lB-2rkjA:
6.0		 2x1lB-2rkjA:
21.56
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.
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
 0.68A 2x1lB-2ts1A:
9.1		 2x1lB-2ts1A:
24.09
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 ALA A 120
HIS A 143
HIS A 141
GLY A 189
ILE A 193
 None
ZN  A1275 (-3.2A)
ZN  A1275 (-3.2A)
None
None
 0.93A 2x1lB-2v9iA:
undetectable		 2x1lB-2v9iA:
21.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		10 ALA A  10
ALA A  12
GLY A  21
HIS A  22
GLU A  25
GLY A 263
ASP A 265
ILE A 266
HIS A 292
LEU A 295
 MET  A 600 ( 3.9A)
MET  A 600 (-3.8A)
None
None
None
None
None
MET  A 600 (-3.9A)
None
None
 0.57A 2x1lB-2x1mA:
55.4		 2x1lB-2x1mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		10 ALA A  10
ALA A  12
GLY A  21
HIS A  22
GLU A  25
GLY A 263
ASP A 265
ILE A 266
HIS A 292
TRP A 294
 MET  A 600 ( 3.9A)
MET  A 600 (-3.8A)
None
None
None
None
None
MET  A 600 (-3.9A)
None
None
 0.73A 2x1lB-2x1mA:
55.4		 2x1lB-2x1mA:
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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		5 ALA A 231
ALA A 159
HIS A 133
GLY A 189
ILE A 144
 None
 1.00A 2x1lB-2yjgA:
undetectable		 2x1lB-2yjgA:
23.30
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 HIS A  35
GLY A  37
HIS A  38
GLY A 148
ASP A 151
 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)
 0.98A 2x1lB-3ag6A:
4.7		 2x1lB-3ag6A:
20.35
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.
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)
 0.36A 2x1lB-3c8zA:
24.2		 2x1lB-3c8zA:
23.93
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.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		5 ALA A  64
ALA A 176
GLY A  74
ILE A  75
LEU A  70
 None
 0.97A 2x1lB-3dknA:
undetectable		 2x1lB-3dknA:
22.94
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 380
GLY A 391
GLY A 448
HIS A 462
LEU A 392
 None
 1.02A 2x1lB-3h8fA:
undetectable		 2x1lB-3h8fA:
23.08
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		8 ALA A  12
HIS A  21
GLY A  23
HIS A  24
GLU A  27
GLY A 294
ILE A 297
HIS A 323
 None
 0.33A 2x1lB-3h9cA:
40.5		 2x1lB-3h9cA:
28.17
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.
3hl0 MALEYLACETATE
REDUCTASE

(Agrobacterium
fabrum) 		PF00465
(Fe-ADH) 		5 ALA A 110
ALA A  86
GLY A 101
ILE A 104
LEU A  92
 None
 1.06A 2x1lB-3hl0A:
undetectable		 2x1lB-3hl0A:
23.55
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 ALA A 178
ALA A 176
GLY A 198
ILE A 199
LEU A 223
 None
 0.91A 2x1lB-3jzdA:
undetectable		 2x1lB-3jzdA:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.50A 2x1lB-3kflA:
43.3		 2x1lB-3kflA:
41.61
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 129
GLY A 357
GLY A 360
ILE A 385
LEU A 355
 None
 1.00A 2x1lB-3l84A:
undetectable		 2x1lB-3l84A:
22.13
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.
3m9y TRIOSEPHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00121
(TIM) 		5 ALA A 167
ALA A 233
GLY A 236
ILE A 126
HIS A  97
 None
 0.89A 2x1lB-3m9yA:
undetectable		 2x1lB-3m9yA:
20.46
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.
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
 0.90A 2x1lB-3mueA:
4.3		 2x1lB-3mueA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnk UREIDOGLYCINE-GLYOXY
LATE
AMINOTRANSFERASE

(Klebsiella
pneumoniae) 		PF00266
(Aminotran_5) 		6 ALA A 371
GLY A 180
HIS A 295
GLY A 203
ILE A  22
LEU A 179
 None
None
None
LLP  A 200 ( 4.9A)
LLP  A 200 ( 4.1A)
None
 1.46A 2x1lB-3nnkA:
undetectable		 2x1lB-3nnkA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
HIS A  37
GLY A 149
ASP A 152
 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)
 0.91A 2x1lB-3q10A:
6.6		 2x1lB-3q10A:
21.98
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.
3qmj ENOYL-COA HYDRATASE,
ECHA8_6

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ALA A 100
GLY A  57
GLY A 109
ILE A 112
LEU A  22
 None
 0.82A 2x1lB-3qmjA:
undetectable		 2x1lB-3qmjA:
21.26
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A  38
GLY A  40
HIS A  41
ASP A 230
LEU A 261
 None
 0.95A 2x1lB-3tqoA:
28.0		 2x1lB-3tqoA:
26.96
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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A  38
GLY A  40
HIS A  41
GLY A 228
LEU A 261
 None
 0.75A 2x1lB-3tqoA:
28.0		 2x1lB-3tqoA:
26.96
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.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  30
GLY A  32
HIS A  33
GLY A 144
ASP A 147
 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)
 0.79A 2x1lB-3uk2A:
undetectable		 2x1lB-3uk2A:
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.
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)
 0.92A 2x1lB-3uy4A:
6.4		 2x1lB-3uy4A:
18.90
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A  70
GLY A 207
ASP A 209
HIS A 235
LEU A 238
 AMP  A 402 (-4.4A)
AMP  A 402 (-3.1A)
AMP  A 402 (-2.8A)
AMP  A 402 (-4.0A)
AMP  A 402 (-4.3A)
 0.66A 2x1lB-3vgjA:
5.5		 2x1lB-3vgjA:
20.88
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.
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 2x1lB-3w5fA:
undetectable		 2x1lB-3w5fA:
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 ALA A 274
ALA A 284
GLY A 212
GLY A  37
ILE A  40
 None
 0.89A 2x1lB-3zuyA:
undetectable		 2x1lB-3zuyA:
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.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD) 		5 ALA D 308
ALA D 306
GLY D  57
GLY D  94
LEU D  97
 None
 0.90A 2x1lB-4djeD:
undetectable		 2x1lB-4djeD:
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.
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)
 0.62A 2x1lB-4j75A:
11.4		 2x1lB-4j75A:
20.18
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.
4lq6 N-ACETYMURAMYL-L-ALA
NINE AMIDASE-RELATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01520
(Amidase_3) 		5 ALA A  35
HIS A 101
GLY A  10
HIS A  11
GLY A  79
 None
ZN  A 301 (-3.1A)
None
ZN  A 301 (-3.2A)
None
 1.05A 2x1lB-4lq6A:
2.7		 2x1lB-4lq6A:
17.52
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.
4nvt TRIOSEPHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF00121
(TIM) 		5 ALA A 167
ALA A 232
GLY A 235
ILE A 128
HIS A  99
 None
 0.91A 2x1lB-4nvtA:
undetectable		 2x1lB-4nvtA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.70A 2x1lB-4oudB:
9.2		 2x1lB-4oudB:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.44A 2x1lB-4qreA:
45.5		 2x1lB-4qreA:
43.06
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.
4w8l ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 ALA A 582
ALA A 578
GLY A 531
GLY A 560
ILE A 589
 None
 1.05A 2x1lB-4w8lA:
undetectable		 2x1lB-4w8lA:
21.87
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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		6 HIS A  42
GLY A  44
HIS A  45
GLY A 136
ASP A 138
LEU A 205
 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)
None
 0.79A 2x1lB-4wsoA:
4.2		 2x1lB-4wsoA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y8f TRIOSEPHOSPHATE
ISOMERASE

(Clostridium
perfringens) 		PF00121
(TIM) 		5 ALA A 167
ALA A 233
GLY A 236
ILE A 126
HIS A  97
 None
 0.95A 2x1lB-4y8fA:
undetectable		 2x1lB-4y8fA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y90 TRIOSEPHOSPHATE
ISOMERASE

(Deinococcus
radiodurans) 		PF00121
(TIM) 		5 ALA A 162
ALA A 227
GLY A 230
ILE A 125
HIS A  96
 None
None
SO4  A 301 (-3.4A)
None
CA  A 305 (-4.3A)
 0.97A 2x1lB-4y90A:
undetectable		 2x1lB-4y90A:
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.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		5 ALA A 174
ALA A 240
GLY A 243
ILE A 133
HIS A 104
 None
 0.95A 2x1lB-4y9aA:
undetectable		 2x1lB-4y9aA:
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.
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)
 0.78A 2x1lB-5db4A:
5.9		 2x1lB-5db4A:
18.45
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 124
GLY A 178
GLY A 138
ASP A 210
ILE A 135
 None
 0.93A 2x1lB-5dmhA:
undetectable		 2x1lB-5dmhA:
25.45
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.
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)
 1.03A 2x1lB-5eywA:
undetectable		 2x1lB-5eywA:
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.
5fjp O-SUCCINYLBENZOATE
SYNTHASE

(Amycolatopsis
sp.) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 293
GLU A  46
GLY A 296
ASP A 327
ILE A 328
 NPQ  A1369 ( 4.1A)
None
None
None
None
 1.02A 2x1lB-5fjpA:
undetectable		 2x1lB-5fjpA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fo1 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBF

(Corynebacterium
ammoniagenes) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  28
GLY A  30
HIS A  31
GLY A 123
LEU A 155
 PPV  A1339 (-3.7A)
None
PPV  A1339 (-3.8A)
None
None
 0.78A 2x1lB-5fo1A:
3.7		 2x1lB-5fo1A:
23.30
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.
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)
 0.94A 2x1lB-5hg0A:
undetectable		 2x1lB-5hg0A:
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		5 ALA A 231
ALA A 159
HIS A 133
GLY A 189
ILE A 144
 None
None
None
4EY  A 501 (-3.5A)
None
 1.07A 2x1lB-5huqA:
3.1		 2x1lB-5huqA:
23.55
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.
5ibx TRIOSEPHOSPHATE
ISOMERASE

(Streptococcus
pneumoniae) 		PF00121
(TIM) 		5 ALA A 166
ALA A 232
GLY A 235
ILE A 125
HIS A  96
 None
 0.89A 2x1lB-5ibxA:
undetectable		 2x1lB-5ibxA:
19.29
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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		6 HIS A 138
GLY A 140
HIS A 141
GLY A 297
ASP A 299
LEU A 342
 None
 0.90A 2x1lB-5ihxA:
8.1		 2x1lB-5ihxA:
21.59
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.
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
 1.00A 2x1lB-5ijxA:
7.3		 2x1lB-5ijxA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.48A 2x1lB-5ijxA:
7.3		 2x1lB-5ijxA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		10 ALA A  11
ALA A  13
GLY A  22
HIS A  23
GLU A  26
GLY A 262
ASP A 264
ILE A 265
HIS A 291
LEU A 294
 415  A 601 ( 4.0A)
None
None
None
None
None
None
415  A 601 ( 4.0A)
None
None
 0.54A 2x1lB-5k0tA:
53.8		 2x1lB-5k0tA:
61.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
 0.44A 2x1lB-5nfhA:
43.0		 2x1lB-5nfhA:
42.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 HIS A 259
GLY A 258
GLY A 516
ASP A 518
HIS A 545
 None
 1.04A 2x1lB-5nfhA:
43.0		 2x1lB-5nfhA:
42.57
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.
5nm8 PIPY

(Synechococcus
elongatus) 		PF01168
(Ala_racemase_N) 		5 ALA A 206
ALA A 203
GLY A 193
ILE A 209
LEU A 159
 None
 1.03A 2x1lB-5nm8A:
undetectable		 2x1lB-5nm8A:
20.57
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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 ALA A 405
GLY A 416
GLY A 476
HIS A 493
LEU A 417
 BB2  A 603 (-4.2A)
None
None
None
None
 0.99A 2x1lB-5nsqA:
2.3		 2x1lB-5nsqA:
22.41
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.
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)
 0.82A 2x1lB-5ucrA:
undetectable		 2x1lB-5ucrA:
21.43
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		6 ALA A   9
GLY A  20
GLY A 292
ASP A 294
ILE A 295
LEU A 324
 MET  A 603 ( 4.0A)
None
None
None
MET  A 603 (-4.3A)
None
 0.67A 2x1lB-5urbA:
40.5		 2x1lB-5urbA:
28.64
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.
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)
 0.29A 2x1lB-5x3dA:
6.2		 2x1lB-5x3dA:
14.69
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 6 ALA A 325
HIS A 278
GLY A 291
GLU A 293
GLY A 372
LEU A 288
 None
None
None
None
None
FAD  A 501 (-3.9A)
 1.38A 2x1lB-5xgvA:
undetectable		 2x1lB-5xgvA:
11.40
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.
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)
 1.06A 2x1lB-5yhjA:
undetectable		 2x1lB-5yhjA:
11.42
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.
5ze3 LYSYL OXIDASE
HOMOLOG 2

(Homo sapiens) 		no annotation 5 GLY A 330
GLU A 340
GLY A 384
ILE A 385
LEU A 381
 None
 0.83A 2x1lB-5ze3A:
undetectable		 2x1lB-5ze3A:
12.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 11 ALA A   9
ALA A  11
HIS A  18
GLY A  20
HIS A  21
GLU A  24
GLY A 261
ASP A 263
ILE A 264
HIS A 290
LEU A 293
 ME8  A 801 ( 3.8A)
ME8  A 801 (-3.1A)
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)
ME8  A 801 (-4.5A)
 0.30A 2x1lB-6ax8A:
52.2		 2x1lB-6ax8A:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 1.08A 2x1lB-6ax8A:
52.2		 2x1lB-6ax8A:
51.67