SIMILAR PATTERNS OF AMINO ACIDS FOR 2X1L_A_ADNA601_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1amk TRIOSE PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00121
(TIM) 		5 ALA A 165
GLY A 234
GLU A 167
ILE A 124
HIS A  95
 None
PGA  A 600 (-3.3A)
PGA  A 600 (-2.4A)
None
PGA  A 600 (-4.0A)
 1.09A 2x1lA-1amkA:
undetectable		 2x1lA-1amkA:
18.04
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.
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina) 		PF00121
(TIM) 		5 ALA A 167
ALA A 232
GLY A 235
GLU A 169
HIS A  97
 None
None
PGA  A 290 (-3.4A)
PGA  A 290 (-2.8A)
PGA  A 290 (-4.0A)
 1.17A 2x1lA-1aw1A:
undetectable		 2x1lA-1aw1A:
19.61
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.
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)
 0.94A 2x1lA-1cozA:
6.1		 2x1lA-1cozA:
13.14
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 ALA A  44
HIS A  52
GLY A  54
HIS A  55
GLY A 193
 ATP  A1433 (-3.8A)
ATP  A1433 (-4.3A)
ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.1A)
 1.11A 2x1lA-1h3eA:
9.7		 2x1lA-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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		6 ALA A  44
HIS A  52
GLY A  54
HIS A  55
GLY A 194
ASP A 196
 ATP  A1433 (-3.8A)
ATP  A1433 (-4.3A)
ATP  A1433 (-3.4A)
ATP  A1433 (-4.2A)
ATP  A1433 (-3.2A)
ATP  A1433 ( 4.2A)
 0.73A 2x1lA-1h3eA:
9.7		 2x1lA-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.
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
 0.85A 2x1lA-1ileA:
21.4		 2x1lA-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
 0.81A 2x1lA-1irxA:
14.5		 2x1lA-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.
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)
 0.76A 2x1lA-1jikA:
9.3		 2x1lA-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.
1k3k FUNCTIONAL
ANTI-APOPTOTIC
FACTOR VBCL-2
HOMOLOG

(Human
gammaherpesvirus
8) 		PF00452
(Bcl-2) 		5 ALA A 119
ALA A  87
GLY A 132
ILE A  13
TRP A 134
 None
 1.13A 2x1lA-1k3kA:
undetectable		 2x1lA-1k3kA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.57A 2x1lA-1k4mA:
5.0		 2x1lA-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.
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
 1.06A 2x1lA-1n2oA:
6.7		 2x1lA-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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 GLY A  66
HIS A  67
GLY A 555
ASP A 557
HIS A 585
 MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
 0.44A 2x1lA-1qu2A:
22.7		 2x1lA-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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 HIS A  64
GLY A  66
HIS A  67
ASP A 557
HIS A 585
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-4.1A)
MRC  A1993 (-3.2A)
MRC  A1993 (-4.5A)
 0.69A 2x1lA-1qu2A:
22.7		 2x1lA-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
 0.99A 2x1lA-1rk2A:
undetectable		 2x1lA-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) 		5 ALA A   9
HIS A  18
GLY A  20
HIS A  21
GLY A 296
 None
 0.68A 2x1lA-1rqgA:
33.0		 2x1lA-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) 		5 HIS A  18
GLY A  20
HIS A  21
GLY A 296
ASP A 298
 None
 1.10A 2x1lA-1rqgA:
33.0		 2x1lA-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.
1sc0 HYPOTHETICAL PROTEIN
HI1161

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 ALA A  62
ALA A  60
HIS A  54
GLY A  55
ILE A  85
 None
 1.03A 2x1lA-1sc0A:
undetectable		 2x1lA-1sc0A:
12.98
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.
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
 0.96A 2x1lA-1sgfG:
undetectable		 2x1lA-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
 0.64A 2x1lA-1tydE:
9.2		 2x1lA-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)
 0.46A 2x1lA-1vbmA:
8.2		 2x1lA-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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 ALA A  88
ALA A  62
GLY A  93
GLY A 127
ILE A 126
 None
None
None
None
EDO  A 207 (-4.0A)
 1.07A 2x1lA-1vraA:
undetectable		 2x1lA-1vraA:
18.81
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.
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
 0.74A 2x1lA-1wkbA:
28.6		 2x1lA-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
 0.69A 2x1lA-1woyA:
43.6		 2x1lA-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
 0.88A 2x1lA-1wz2A:
3.7		 2x1lA-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
 0.74A 2x1lA-1wz2A:
3.7		 2x1lA-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.
1yya TRIOSEPHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00121
(TIM) 		5 ALA A 164
GLY A 233
GLU A 166
ILE A 123
HIS A  94
 None
PO4  A2004 (-3.2A)
None
None
None
 1.10A 2x1lA-1yyaA:
undetectable		 2x1lA-1yyaA:
17.82
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.
2bh5 CYTOCHROME C-550

(Paracoccus
versutus) 		no annotation 5 ALA X  48
HIS X  19
GLY X  36
GLY X  56
ILE X  59
 HEC  X1123 (-4.4A)
HEC  X1123 (-3.1A)
HEC  X1123 ( 3.9A)
HEC  X1123 (-3.7A)
HEC  X1123 (-4.3A)
 1.16A 2x1lA-2bh5X:
undetectable		 2x1lA-2bh5X:
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.
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)
 1.07A 2x1lA-2btmA:
undetectable		 2x1lA-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)
 0.48A 2x1lA-2ct8A:
44.1		 2x1lA-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
 0.65A 2x1lA-2cybA:
5.8		 2x1lA-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) 		5 GLY A  49
HIS A  47
GLY A 187
ASP A 189
HIS A 223
 None
 1.11A 2x1lA-2cycA:
9.9		 2x1lA-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.
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
 0.63A 2x1lA-2cycA:
9.9		 2x1lA-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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF08442
(ATP-grasp_2) 		5 ALA A 247
ALA B 278
GLY B 272
ILE A 215
HIS A 259
 None
None
PO4  A 401 (-3.3A)
None
PO4  A 401 (-4.1A)
 1.12A 2x1lA-2fpgA:
undetectable		 2x1lA-2fpgA:
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.
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
 0.81A 2x1lA-2janA:
6.5		 2x1lA-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
 0.85A 2x1lA-2mqaA:
undetectable		 2x1lA-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.
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)
 0.45A 2x1lA-2pidA:
8.8		 2x1lA-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.
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
 0.94A 2x1lA-2qxlA:
undetectable		 2x1lA-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
 0.89A 2x1lA-2rkjA:
7.6		 2x1lA-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
 0.67A 2x1lA-2ts1A:
9.5		 2x1lA-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
 0.96A 2x1lA-2v9iA:
undetectable		 2x1lA-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
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
 0.71A 2x1lA-2x1mA:
57.8		 2x1lA-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
 0.98A 2x1lA-2yjgA:
undetectable		 2x1lA-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.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 ALA B 216
ALA B 241
GLY B 231
GLY B 209
ILE B 237
 None
None
ASP  B 501 ( 3.8A)
ASP  B 501 ( 4.0A)
None
 1.11A 2x1lA-2zalB:
undetectable		 2x1lA-2zalB:
14.26
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.
3c17 L-ASPARAGINASE
PRECURSOR

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 ALA A 216
ALA A 241
GLY A 231
GLY A 209
ILE A 237
 None
None
NA  A 324 ( 4.1A)
CL  A 330 ( 3.9A)
None
 1.12A 2x1lA-3c17A:
undetectable		 2x1lA-3c17A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.44A 2x1lA-3c8zA:
22.7		 2x1lA-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.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00814
(Peptidase_M22) 		5 ALA A  91
ALA A  88
GLY A  77
GLY A  73
ILE A 102
 None
 1.17A 2x1lA-3enoA:
2.2		 2x1lA-3enoA:
22.87
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.
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
 0.38A 2x1lA-3h9cA:
37.9		 2x1lA-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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
GLY A 294
ASP A 296
HIS A 323
 None
 1.05A 2x1lA-3h9cA:
37.9		 2x1lA-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.
3hjv MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Vibrio cholerae) 		PF00698
(Acyl_transf_1) 		5 ALA A 151
ALA A 147
GLY A 192
GLY A 185
ILE A 174
 None
None
None
SO4  A 321 (-3.1A)
None
 1.16A 2x1lA-3hjvA:
undetectable		 2x1lA-3hjvA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if9 GLYCINE OXIDASE

(Bacillus
subtilis) 		PF01266
(DAO) 		5 ALA A 201
ALA A 324
GLY A 331
HIS A 327
GLY A  13
 None
None
FAD  A 371 (-3.1A)
None
FAD  A 371 (-3.2A)
 1.16A 2x1lA-3if9A:
undetectable		 2x1lA-3if9A:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ALA A  87
ALA A  62
GLY A  92
GLY A 131
ILE A 130
 None
 1.08A 2x1lA-3it4A:
undetectable		 2x1lA-3it4A:
19.19
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)
 0.52A 2x1lA-3kflA:
45.3		 2x1lA-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.
3kmv ALPHA-L-ARABINOFURAN
OSIDASE B

(Ruminiclostridium
thermocellum) 		PF05270
(AbfB) 		5 ALA A  89
ALA A  92
GLY A  67
GLY A  84
ASP A  83
 None
None
None
None
FMT  A 160 (-3.0A)
 1.12A 2x1lA-3kmvA:
undetectable		 2x1lA-3kmvA:
14.93
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.
3m9y TRIOSEPHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00121
(TIM) 		5 ALA A 167
ALA A 233
GLY A 236
ILE A 126
HIS A  97
 None
 0.93A 2x1lA-3m9yA:
2.2		 2x1lA-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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ALA A 199
HIS A 232
GLY A 196
HIS A 140
ILE A 298
 SO4  A 427 (-3.0A)
ZN  A 426 ( 3.5A)
None
SO4  A 427 (-4.0A)
None
 1.17A 2x1lA-3mkvA:
undetectable		 2x1lA-3mkvA:
22.06
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.
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
 0.95A 2x1lA-3mueA:
5.0		 2x1lA-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.
3op1 MACROLIDE-EFFLUX
PROTEIN

(Streptococcus
pneumoniae) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 HIS A  30
GLY A  32
HIS A  33
GLY A 126
ASP A 128
 SO4  A 311 (-4.1A)
GOL  A 312 (-3.3A)
SO4  A 311 (-4.3A)
GOL  A 312 (-3.6A)
None
 1.18A 2x1lA-3op1A:
3.5		 2x1lA-3op1A:
20.94
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.
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)
 0.98A 2x1lA-3q10A:
6.7		 2x1lA-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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 ALA A 344
ALA A 342
GLY A 111
GLY A 152
ILE A 151
 None
 1.02A 2x1lA-3racA:
undetectable		 2x1lA-3racA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.85A 2x1lA-3uk2A:
4.7		 2x1lA-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)
 0.98A 2x1lA-3uy4A:
5.6		 2x1lA-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.
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
 1.00A 2x1lA-3w5fA:
3.6		 2x1lA-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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 254
GLY A 154
HIS A 377
GLY A 312
HIS A 310
 None
None
None
COA  A 401 (-3.8A)
None
 1.08A 2x1lA-3wxyA:
undetectable		 2x1lA-3wxyA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 ALA A 274
ALA A 284
GLY A 212
GLY A  37
ILE A  40
 None
 0.88A 2x1lA-3zuyA:
undetectable		 2x1lA-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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A  78
ALA A  76
GLY A 139
GLY A  50
ILE A  62
 None
 1.09A 2x1lA-4ao7A:
undetectable		 2x1lA-4ao7A:
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.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		5 ALA A  40
ALA A 108
HIS A  55
ILE A  25
TRP A 120
 None
None
MN  A1132 (-3.4A)
None
None
 1.17A 2x1lA-4bifA:
undetectable		 2x1lA-4bifA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		5 ALA A 135
ALA A 133
GLY A 128
GLY A  96
ILE A  73
 None
 1.18A 2x1lA-4grdA:
undetectable		 2x1lA-4grdA:
19.62
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.
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)
 0.67A 2x1lA-4j75A:
11.3		 2x1lA-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
 1.02A 2x1lA-4lq6A:
2.7		 2x1lA-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.
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 2x1lA-4oudB:
8.8		 2x1lA-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)
 0.47A 2x1lA-4qreA:
42.8		 2x1lA-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
 1.04A 2x1lA-4w8lA:
3.1		 2x1lA-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) 		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)
 0.59A 2x1lA-4wsoA:
6.2		 2x1lA-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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A  37
GLY A  32
GLY A 218
ILE A 224
HIS A 219
 None
 1.12A 2x1lA-4xeuA:
undetectable		 2x1lA-4xeuA:
23.47
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		5 ALA A 155
ALA A 153
GLY A 224
GLY A 150
ILE A 151
 None
 1.08A 2x1lA-4xibA:
undetectable		 2x1lA-4xibA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		5 ALA A 174
ALA A 240
GLY A 243
ILE A 133
HIS A 104
 None
 0.99A 2x1lA-4y9aA:
2.0		 2x1lA-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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 193
ALA A 141
GLY A 188
GLY A  66
ILE A  21
 None
 1.09A 2x1lA-4ynnA:
undetectable		 2x1lA-4ynnA:
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.
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)
 0.85A 2x1lA-5db4A:
2.8		 2x1lA-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
 0.91A 2x1lA-5dmhA:
2.4		 2x1lA-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)
 1.04A 2x1lA-5eywA:
2.5		 2x1lA-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
 1.01A 2x1lA-5fjpA:
undetectable		 2x1lA-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.
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
 1.04A 2x1lA-5huqA:
2.2		 2x1lA-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
 0.94A 2x1lA-5ibxA:
2.0		 2x1lA-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) 		5 HIS A 138
GLY A 140
HIS A 141
GLY A 297
ASP A 299
 None
 0.71A 2x1lA-5ihxA:
8.1		 2x1lA-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
 1.03A 2x1lA-5ijxA:
7.3		 2x1lA-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
 0.51A 2x1lA-5ijxA:
7.3		 2x1lA-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) 		9 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
 415  A 601 ( 4.0A)
None
None
None
None
None
None
415  A 601 ( 4.0A)
None
 0.44A 2x1lA-5k0tA:
50.4		 2x1lA-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
 0.40A 2x1lA-5nfhA:
45.1		 2x1lA-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
 1.00A 2x1lA-5nfhA:
45.1		 2x1lA-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.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 ALA A  30
ALA A 271
GLU A  33
GLY A  34
ILE A  61
 None
 1.12A 2x1lA-5t1pA:
undetectable		 2x1lA-5t1pA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 2x1lA-5ucrA:
2.7		 2x1lA-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.
5upr TRIOSEPHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF00121
(TIM) 		5 ALA A 287
GLY A 356
GLU A 289
ILE A 245
HIS A 212
 None
SO4  A 401 (-3.3A)
CL  A 403 (-3.0A)
None
CL  A 403 (-4.4A)
 1.09A 2x1lA-5uprA:
2.3		 2x1lA-5uprA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.62A 2x1lA-5urbA:
37.9		 2x1lA-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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A  34
GLY A  29
GLY A 215
ILE A 221
HIS A 216
 None
 1.13A 2x1lA-5vrbA:
undetectable		 2x1lA-5vrbA:
23.23
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.
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)
 0.35A 2x1lA-5x3dA:
6.2		 2x1lA-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.
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)
 1.02A 2x1lA-5yhjA:
undetectable		 2x1lA-5yhjA:
11.42
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 10 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
 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)
 0.38A 2x1lA-6ax8A:
54.3		 2x1lA-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)
 1.09A 2x1lA-6ax8A:
54.3		 2x1lA-6ax8A:
51.67
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.
6dnh PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 5 ALA B 336
ALA B 338
GLY B 351
ILE B 378
HIS B 330
 None
 1.10A 2x1lA-6dnhB:
undetectable		 2x1lA-6dnhB:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 HIS A 598
GLY A 593
HIS A 592
GLY A  42
ASP A 636
 None
CA  A 801 (-4.8A)
None
None
None
 1.08A 2x1lA-6f8zA:
undetectable		 2x1lA-6f8zA:
11.07