SIMILAR PATTERNS OF AMINO ACIDS FOR 6BNI_B_ADNB602_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.
12as ASPARAGINE
SYNTHETASE

(Escherichia
coli) 		PF03590
(AsnA) 		5 ARG A 100
GLU A 103
GLY A 296
ARG A 299
ILE A 310
 AMP  A 332 (-2.9A)
AMP  A 332 (-3.7A)
AMP  A 332 (-3.1A)
AMP  A 332 (-3.8A)
None
 0.90A 6bniB-12asA:
23.8		 6bniB-12asA:
13.58
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.
12as ASPARAGINE
SYNTHETASE

(Escherichia
coli) 		PF03590
(AsnA) 		6 GLU A 103
HIS A 110
GLU A 248
GLY A 296
ARG A 299
ILE A 310
 AMP  A 332 (-3.7A)
AMP  A 332 (-4.9A)
AMP  A 332 (-4.0A)
AMP  A 332 (-3.1A)
AMP  A 332 (-3.8A)
None
 0.74A 6bniB-12asA:
23.8		 6bniB-12asA:
13.58
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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 220
GLU A 304
GLY A 363
ARG A 366
ILE A 229
 None
 0.84A 6bniB-1atiA:
14.4		 6bniB-1atiA:
10.04
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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 220
PHE A 235
GLY A 363
ARG A 366
ILE A 229
 None
 0.90A 6bniB-1atiA:
14.4		 6bniB-1atiA:
10.04
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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 214
GLU A 216
HIS A 223
GLU A 361
GLY A 409
ARG A 412
ILE A 423
 ATP  A 500 (-2.7A)
ATP  A 500 (-3.6A)
ATP  A 500 (-3.7A)
MN  A 601 (-2.6A)
ATP  A 500 (-3.3A)
ATP  A 500 (-2.5A)
None
 0.74A 6bniB-1b8aA:
30.1		 6bniB-1b8aA:
8.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		6 ASN A 260
ARG A 262
GLU A 264
HIS A 270
PHE A 274
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
 0.75A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ASN A 260
ARG A 262
HIS A 270
PHE A 274
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.60A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ASN A 260
ARG A 262
PHE A 274
GLU A 421
GLY A 477
ARG A 480
ILE A 491
 None
LYS  A 505 (-4.0A)
None
None
None
None
None
 0.53A 6bniB-1bbuA:
46.1		 6bniB-1bbuA:
10.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0a ASPARTYL TRNA
SYNTHETASE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		6 ARG A 217
PHE A 229
GLU A 482
GLY A 534
ARG A 537
ILE A 548
 AMO  A 831 (-3.0A)
AMO  A 831 (-3.2A)
AMO  A 831 (-3.4A)
AMO  A 831 (-3.4A)
AMO  A 831 (-4.0A)
None
 0.38A 6bniB-1c0aA:
27.4		 6bniB-1c0aA:
7.88
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		8 ARG A 262
GLU A 264
HIS A 270
PHE A 274
GLU A 421
GLY A 477
ARG A 480
ILE A 491
 LAD  A 601 ( 2.6A)
LAD  A 601 (-4.0A)
POP  A 602 (-4.0A)
LAD  A 601 (-3.4A)
MG  A 603 (-2.7A)
LAD  A 601 (-3.4A)
POP  A 602 ( 2.4A)
None
 0.37A 6bniB-1e1tA:
46.6		 6bniB-1e1tA:
11.26
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		8 ASN A 260
ARG A 262
GLU A 264
HIS A 270
PHE A 274
GLY A 477
ARG A 480
ILE A 491
 None
LAD  A 601 ( 2.6A)
LAD  A 601 (-4.0A)
POP  A 602 (-4.0A)
LAD  A 601 (-3.4A)
LAD  A 601 (-3.4A)
POP  A 602 ( 2.4A)
None
 0.41A 6bniB-1e1tA:
46.6		 6bniB-1e1tA:
11.26
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ASN A 260
ARG A 262
PHE A 274
GLY A 477
ILE A 495
 None
LAD  A 601 ( 2.6A)
LAD  A 601 (-3.4A)
LAD  A 601 (-3.4A)
None
 1.23A 6bniB-1e1tA:
46.6		 6bniB-1e1tA:
11.26
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 325
HIS A 334
PHE A 338
GLY A 528
ILE A 542
 None
 0.99A 6bniB-1eovA:
28.0		 6bniB-1eovA:
9.75
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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 363
GLU A 365
PHE A 379
GLY A 516
ARG A 520
 TSB  A2002 (-2.7A)
TSB  A2002 (-3.7A)
TSB  A2002 (-3.6A)
TSB  A2002 (-3.3A)
TSB  A2002 (-3.9A)
 0.63A 6bniB-1evlA:
12.7		 6bniB-1evlA:
12.74
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.
1ggm GLYCINE--TRNA LIGASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		6 ARG A 220
GLU A 222
PHE A 235
GLU A 304
GLY A 363
ARG A 366
 GAP  A1550 ( 2.4A)
GAP  A1550 (-3.2A)
GAP  A1550 ( 3.5A)
GAP  A1550 ( 3.8A)
GAP  A1550 (-2.7A)
GAP  A1550 ( 3.4A)
 0.62A 6bniB-1ggmA:
14.5		 6bniB-1ggmA:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ARG A 113
GLU A 115
PHE A 125
GLY A 308
ARG A 311
 AMP  A 451 ( 2.3A)
AMP  A 451 ( 3.7A)
AMP  A 451 ( 3.5A)
AMP  A 451 (-3.5A)
AMP  A 451 ( 3.9A)
 0.63A 6bniB-1httA:
14.8		 6bniB-1httA:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1izc MACROPHOMATE
SYNTHASE
INTERMOLECULAR
DIELS-ALDERASE

(Macrophoma
commelinae) 		PF03328
(HpcH_HpaI) 		5 ASN A 246
HIS A 203
ALA A 197
GLU A 201
ILE A 181
 None
 1.15A 6bniB-1izcA:
undetectable		 6bniB-1izcA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		5 ARG A  92
PHE A 125
ALA A 115
GLY A 114
ILE A 111
 ATP  A 510 ( 4.1A)
ATP  A 510 (-3.9A)
ATP  A 510 (-4.3A)
ATP  A 510 (-3.1A)
None
 1.01A 6bniB-1kh2A:
undetectable		 6bniB-1kh2A:
10.33
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.
1kug METALLOPROTEINASE

(Protobothrops
mucrosquamatus) 		PF01421
(Reprolysin) 		5 ASN A 149
GLU A 145
HIS A 144
GLU A 153
ILE A 166
 None
CD  A 981 ( 4.6A)
CD  A 981 (-3.5A)
None
None
 1.13A 6bniB-1kugA:
undetectable		 6bniB-1kugA:
15.87
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		8 ASN A  97
ARG A  99
GLU A 101
HIS A 110
PHE A 114
GLU A 215
GLY A 264
ARG A 267
 None
 0.72A 6bniB-1nnhA:
28.0		 6bniB-1nnhA:
14.29
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		8 ASN A  97
ARG A  99
GLU A 101
HIS A 110
PHE A 114
GLY A 264
ARG A 267
ILE A 278
 None
 0.53A 6bniB-1nnhA:
28.0		 6bniB-1nnhA:
14.29
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 ASN A  74
ARG A  79
ALA A  68
GLY A  65
ILE A  84
 None
 1.25A 6bniB-1oa1A:
undetectable		 6bniB-1oa1A:
7.92
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.
1oi1 SCML2 PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 GLU A  37
HIS A  34
ALA A 227
GLY A 228
ARG A 231
 None
 1.23A 6bniB-1oi1A:
undetectable		 6bniB-1oi1A:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 ARG A 363
GLU A 365
PHE A 379
GLY A 516
ARG A 520
 AMP  A1002 (-2.7A)
AMP  A1002 (-3.7A)
AMP  A1002 (-3.7A)
AMP  A1002 (-3.0A)
AMP  A1002 (-3.7A)
 0.68A 6bniB-1qf6A:
13.0		 6bniB-1qf6A:
7.87
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 ASN A 449
ARG A 451
GLU A 377
GLY A 444
ILE A  31
 None
 1.12A 6bniB-1rqgA:
undetectable		 6bniB-1rqgA:
7.62
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		5 GLU A 312
PHE A  28
ALA A  27
GLY A  24
ILE A   3
 None
 1.18A 6bniB-1vi1A:
undetectable		 6bniB-1vi1A:
13.81
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 GLU A  59
ALA A  50
GLU A  85
GLY A  51
ILE A 108
 None
 1.24A 6bniB-1vz8A:
undetectable		 6bniB-1vz8A:
9.16
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		5 ARG A 313
GLU A 315
PHE A 331
ALA A 439
GLU A 401
 SRP  A 900 (-2.6A)
SRP  A 900 (-3.5A)
SRP  A 900 (-4.0A)
SRP  A 900 (-3.5A)
SRP  A 900 (-3.6A)
 1.20A 6bniB-1wleA:
12.1		 6bniB-1wleA:
12.16
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		5 ARG A 313
GLU A 315
PHE A 331
GLU A 401
ARG A 442
 SRP  A 900 (-2.6A)
SRP  A 900 (-3.5A)
SRP  A 900 (-4.0A)
SRP  A 900 (-3.6A)
SRP  A 900 ( 4.1A)
 0.72A 6bniB-1wleA:
12.1		 6bniB-1wleA:
12.16
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 211
HIS A 220
PHE A 224
GLU A 357
GLY A 405
ARG A 408
ILE A 419
 NSS  A3002 (-2.9A)
PO4  A3001 ( 4.1A)
NSS  A3002 (-3.4A)
MG  A2001 (-2.6A)
NSS  A3002 (-3.2A)
PO4  A3001 ( 3.2A)
None
 0.87A 6bniB-1x55A:
31.0		 6bniB-1x55A:
11.21
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 GLU A 206
HIS A 212
PHE A 216
GLY A 318
ILE A 332
 None
 0.83A 6bniB-2amcA:
13.7		 6bniB-2amcA:
15.10
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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 ARG A 336
GLU A 338
PHE A 351
GLU A 432
ARG A 468
 ATP  A1505 (-2.9A)
ATP  A1505 (-3.3A)
ATP  A1505 (-3.4A)
ATP  A1505 (-2.9A)
ATP  A1505 (-3.9A)
 0.95A 6bniB-2cjaA:
10.5		 6bniB-2cjaA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 ARG A 336
GLU A 338
PHE A 351
GLY A 465
ARG A 468
 ATP  A1505 (-2.9A)
ATP  A1505 (-3.3A)
ATP  A1505 (-3.4A)
ATP  A1505 (-3.3A)
ATP  A1505 (-3.9A)
 0.93A 6bniB-2cjaA:
10.5		 6bniB-2cjaA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ARG A 262
GLU A 264
PHE A 281
GLU A 349
ARG A 391
 SSA  A1001 (-2.8A)
SSA  A1001 (-3.3A)
SSA  A1001 (-3.5A)
SSA  A1001 (-3.1A)
SSA  A1001 (-3.3A)
 0.66A 6bniB-2dq3A:
12.4		 6bniB-2dq3A:
9.41
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		6 ARG A 140
GLU A 142
PHE A 155
GLU A 282
GLY A 319
ARG A 322
 5CA  A 439 (-2.8A)
5CA  A 439 (-3.2A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.7A)
5CA  A 439 (-3.5A)
5CA  A 439 (-3.7A)
 0.73A 6bniB-2i4nA:
11.5		 6bniB-2i4nA:
10.41
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		6 ARG A 140
GLU A 142
PHE A 155
GLU A 407
GLY A 444
ARG A 447
 ATP  A 701 ( 2.6A)
ATP  A 701 (-3.4A)
ATP  A 701 (-3.5A)
MN  A1567 (-2.5A)
ATP  A 701 (-3.3A)
ATP  A 701 (-2.5A)
 0.75A 6bniB-2j3mA:
12.2		 6bniB-2j3mA:
8.57
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ASN A 483
ARG A 488
GLU A 491
GLY A 465
ILE A 496
 SO4  A1402 (-4.0A)
None
None
None
None
 1.20A 6bniB-2o7qA:
undetectable		 6bniB-2o7qA:
10.90
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.
2p5k ARGININE REPRESSOR

(Bacillus
subtilis) 		PF01316
(Arg_repressor) 		5 GLU A  47
HIS A   7
ALA A  39
ARG A   6
ILE A  10
 None
 1.21A 6bniB-2p5kA:
undetectable		 6bniB-2p5kA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 ARG A 298
GLU A 302
HIS A 268
GLY A 292
ILE A 285
 None
 1.19A 6bniB-2qpxA:
undetectable		 6bniB-2qpxA:
13.50
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.
2v4i GLUTAMATE
N-ACETYLTRANSFERASE
2 ALPHA CHAIN

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 GLU A  59
ALA A  50
GLU A  85
GLY A  51
ILE A 108
 None
 1.21A 6bniB-2v4iA:
undetectable		 6bniB-2v4iA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 321
GLU A 323
HIS A 330
GLU A 471
GLY A 519
ARG A 522
ILE A 533
 NSS  A1550 (-2.9A)
NSS  A1550 (-3.5A)
NSS  A1550 (-4.6A)
MG  A1551 ( 2.6A)
NSS  A1550 (-3.5A)
NSS  A1550 (-4.1A)
None
 0.75A 6bniB-2xgtA:
30.6		 6bniB-2xgtA:
10.57
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ARG A 283
GLU A 285
PHE A 302
ALA A 409
GLU A 370
 AMP  A1001 (-3.3A)
AMP  A1001 (-3.6A)
AMP  A1001 (-3.5A)
AMP  A1001 (-3.5A)
AMP  A1001 ( 3.2A)
 1.24A 6bniB-2zr2A:
11.6		 6bniB-2zr2A:
8.35
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ARG A 283
GLU A 285
PHE A 302
GLU A 370
ARG A 412
 AMP  A1001 (-3.3A)
AMP  A1001 (-3.6A)
AMP  A1001 (-3.5A)
AMP  A1001 ( 3.2A)
SO4  A2005 ( 3.1A)
 0.77A 6bniB-2zr2A:
11.6		 6bniB-2zr2A:
8.35
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		6 ARG A 128
HIS A 141
PHE A 145
GLU A 209
GLY A 246
ARG A 249
 A5A  A 801 (-2.7A)
A5A  A 801 (-4.7A)
A5A  A 801 (-3.5A)
A5A  A 801 (-3.7A)
A5A  A 801 (-3.3A)
A5A  A 801 (-4.0A)
 0.68A 6bniB-2ztgA:
10.7		 6bniB-2ztgA:
7.22
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		6 ARG A 128
HIS A 141
PHE A 145
GLU A 210
GLY A 252
ARG A 255
 A5A  A 999 (-3.0A)
A5A  A 999 (-4.8A)
A5A  A 999 (-3.4A)
A5A  A 999 (-3.4A)
A5A  A 999 (-3.2A)
A5A  A 999 (-3.7A)
 0.75A 6bniB-2zzgA:
10.8		 6bniB-2zzgA:
7.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 253
GLU A 255
HIS A 261
PHE A 265
GLY A 467
ARG A 470
ILE A 481
 B4P  A 494 ( 2.7A)
B4P  A 494 (-3.7A)
B4P  A 494 (-3.5A)
B4P  A 494 (-3.4A)
B4P  A 494 (-3.2A)
B4P  A 494 (-2.8A)
None
 0.35A 6bniB-3a74A:
44.4		 6bniB-3a74A:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLU A 255
HIS A 261
GLU A 411
ARG A 470
ILE A 481
 B4P  A 494 (-3.7A)
B4P  A 494 (-3.5A)
B4P  A 494 (-3.4A)
B4P  A 494 (-2.8A)
None
 1.17A 6bniB-3a74A:
44.4		 6bniB-3a74A:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 ASN A  17
GLU A  24
ALA A 242
GLY A 240
ILE A 235
 None
 1.17A 6bniB-3bn1A:
undetectable		 6bniB-3bn1A:
12.43
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Mus musculus;
Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		6 ARG A 256
GLU A 258
PHE A 275
ALA A 383
GLU A 345
ARG A 386
 AMP  A1507 (-3.1A)
AMP  A1507 (-3.5A)
AMP  A1507 (-3.8A)
AMP  A1507 ( 3.7A)
AMP  A1507 (-3.4A)
AMP  A1507 ( 4.0A)
 1.10A 6bniB-3errA:
11.3		 6bniB-3errA:
9.90
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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		6 ARG A 100
GLU A 102
HIS A 108
ALA A 298
GLU A 244
ARG A 303
 AMP  A 401 (-2.8A)
AMP  A 401 (-3.9A)
PO4  A 326 (-3.7A)
AMP  A 401 (-3.8A)
PO4  A 328 ( 2.8A)
PO4  A 328 ( 2.4A)
 1.38A 6bniB-3g1zA:
32.4		 6bniB-3g1zA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		7 ARG A 100
GLU A 102
HIS A 108
PHE A 112
GLU A 244
GLY A 300
ARG A 303
 AMP  A 401 (-2.8A)
AMP  A 401 (-3.9A)
PO4  A 326 (-3.7A)
AMP  A 401 (-3.5A)
PO4  A 328 ( 2.8A)
AMP  A 401 (-3.5A)
PO4  A 328 ( 2.4A)
 0.58A 6bniB-3g1zA:
32.4		 6bniB-3g1zA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		6 ARG A  69
HIS A  86
PHE A  90
GLU A 209
GLY A 239
ARG A 242
 SSA  A 442 (-2.7A)
None
SSA  A 442 (-3.5A)
SSA  A 442 (-3.9A)
SSA  A 442 (-3.5A)
SSA  A 442 (-3.8A)
 0.69A 6bniB-3hxwA:
12.0		 6bniB-3hxwA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7f ASPARTYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 HIS A 326
GLU A 467
GLY A 515
ARG A 518
ILE A 529
 None
 1.21A 6bniB-3i7fA:
26.6		 6bniB-3i7fA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7f ASPARTYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 HIS A 326
PHE A 330
GLU A 467
GLY A 515
ILE A 529
 None
 0.92A 6bniB-3i7fA:
26.6		 6bniB-3i7fA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lss SERYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ARG A 295
GLU A 297
PHE A 314
GLU A 384
ARG A 431
 ATP  A 501 (-2.9A)
ATP  A 501 (-3.3A)
ATP  A 501 (-3.6A)
ATP  A 501 (-2.5A)
ATP  A 501 (-3.9A)
 0.65A 6bniB-3lssA:
12.0		 6bniB-3lssA:
11.92
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		6 ARG A 227
GLU A 229
HIS A 236
GLY A 422
ARG A 425
ILE A 436
 4AD  A 500 (-3.1A)
4AD  A 500 (-4.2A)
4AD  A 500 (-4.5A)
4AD  A 500 (-3.7A)
4AD  A 500 (-3.8A)
None
 0.63A 6bniB-3m4pA:
30.2		 6bniB-3m4pA:
10.20
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		6 GLU A 229
HIS A 236
GLU A 374
GLY A 422
ARG A 425
ILE A 436
 4AD  A 500 (-4.2A)
4AD  A 500 (-4.5A)
4AD  A 500 (-4.1A)
4AD  A 500 (-3.7A)
4AD  A 500 (-3.8A)
None
 0.79A 6bniB-3m4pA:
30.2		 6bniB-3m4pA:
10.20
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		5 ARG A  99
GLU A 101
HIS A 110
GLU A 215
ARG A 109
 None
 1.17A 6bniB-3p8tA:
27.9		 6bniB-3p8tA:
13.22
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		5 ARG A  99
GLU A 101
PHE A 114
ARG A 267
ILE A 278
 None
 1.07A 6bniB-3p8tA:
27.9		 6bniB-3p8tA:
13.22
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		8 ASN A  97
ARG A  99
GLU A 101
HIS A 110
PHE A 114
GLU A 215
GLY A 264
ILE A 278
 None
 0.69A 6bniB-3p8tA:
27.9		 6bniB-3p8tA:
13.22
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, ALPHA
SUBUNIT

(Escherichia
coli) 		PF01409
(tRNA-synt_2d)
PF02912
(Phe_tRNA-synt_N) 		6 ARG A 195
HIS A 202
PHE A 206
GLU A 268
GLY A 298
ARG A 301
 AMP  A 992 (-4.0A)
AMP  A 992 (-3.6A)
AMP  A 992 (-3.5A)
AMP  A 992 (-3.8A)
AMP  A 992 ( 4.4A)
AMP  A 992 (-3.7A)
 0.78A 6bniB-3pcoA:
15.8		 6bniB-3pcoA:
11.29
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.
3teh PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d) 		5 GLU A 206
HIS A 212
PHE A 216
GLY A 318
ILE A 332
 None
 0.93A 6bniB-3tehA:
13.7		 6bniB-3tehA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ufc PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01881
(Cas_Cas6) 		5 ASN X 124
PHE X 126
ALA X 216
GLY X 219
ILE X 132
 None
 1.07A 6bniB-3ufcX:
undetectable		 6bniB-3ufcX:
14.29
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		5 ARG A 349
GLU A 351
PHE A 364
GLY A 482
ARG A 485
 SSA  A2002 (-3.0A)
SSA  A2002 (-3.2A)
SSA  A2002 ( 3.5A)
SSA  A2002 (-2.8A)
SSA  A2002 ( 3.7A)
 0.84A 6bniB-3w3sA:
10.6		 6bniB-3w3sA:
9.30
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 ARG A 128
HIS A 141
PHE A 145
GLY A 246
ARG A 249
 A5A  A1001 (-3.4A)
A5A  A1001 (-4.2A)
A5A  A1001 (-3.5A)
A5A  A1001 (-3.0A)
A5A  A1001 (-3.7A)
 0.73A 6bniB-3wqyA:
11.3		 6bniB-3wqyA:
6.21
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 HIS A 141
PHE A 145
GLU A 209
GLY A 246
ARG A 249
 A5A  A1001 (-4.2A)
A5A  A1001 (-3.5A)
A5A  A1001 (-3.8A)
A5A  A1001 (-3.0A)
A5A  A1001 (-3.7A)
 0.69A 6bniB-3wqyA:
11.3		 6bniB-3wqyA:
6.21
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		5 ASN A 279
GLU A 288
PHE A 277
ALA A 227
ILE A 269
 None
 1.25A 6bniB-4a0wA:
undetectable		 6bniB-4a0wA:
9.34
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.
4anf ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Mycoplasma
penetrans) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A 180
ALA A 179
GLU A 136
GLY A 177
ILE A  25
 None
 1.19A 6bniB-4anfA:
undetectable		 6bniB-4anfA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		6 ARG A 323
GLU A 325
HIS A 331
PHE A 335
GLY A 550
ILE A 564
 APC  A 602 (-3.1A)
APC  A 602 ( 4.7A)
APC  A 602 (-4.2A)
APC  A 602 (-3.8A)
APC  A 602 (-3.4A)
None
 0.84A 6bniB-4dpgA:
51.5		 6bniB-4dpgA:
9.98
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		6 ARG A 323
PHE A 335
GLU A 494
GLY A 550
ARG A 553
ILE A 564
 APC  A 602 (-3.1A)
APC  A 602 (-3.8A)
MG  A 603 ( 3.4A)
APC  A 602 (-3.4A)
APC  A 602 (-3.7A)
None
 1.05A 6bniB-4dpgA:
51.5		 6bniB-4dpgA:
9.98
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.
4eo4 THREONINE--TRNA
LIGASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 162
GLU A 164
PHE A 178
GLY A 324
ARG A 328
 SSA  A1001 (-2.8A)
SSA  A1001 (-4.1A)
SSA  A1001 (-3.8A)
SSA  A1001 (-3.3A)
SSA  A1001 (-3.7A)
 0.67A 6bniB-4eo4A:
12.8		 6bniB-4eo4A:
11.52
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.
4ex5 LYSINE--TRNA LIGASE

(Burkholderia
thailandensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		8 ASN A 260
ARG A 262
GLU A 264
PHE A 274
GLU A 425
GLY A 481
ARG A 484
ILE A 495
 None
LYS  A 601 (-3.7A)
None
None
None
None
None
None
 0.60A 6bniB-4ex5A:
44.1		 6bniB-4ex5A:
10.59
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.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 ARG B 159
GLU B 161
PHE B 172
GLY B 283
ARG B 286
 G5A  B 402 (-2.8A)
G5A  B 402 (-3.8A)
G5A  B 402 (-3.7A)
CL  B 403 ( 3.2A)
G5A  B 402 ( 3.8A)
 0.51A 6bniB-4h2xB:
12.0		 6bniB-4h2xB:
12.90
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.
4hum MULTIDRUG EFFLUX
PROTEIN

(Neisseria
gonorrhoeae) 		PF01554
(MatE) 		5 ARG A 314
GLU A 316
PHE A 310
ARG A 307
ILE A 308
 None
 1.06A 6bniB-4humA:
undetectable		 6bniB-4humA:
13.08
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASN A  72
PHE A  68
ALA A 310
GLY A 312
ILE A 322
 None
 1.23A 6bniB-4iuwA:
undetectable		 6bniB-4iuwA:
9.14
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.
4l87 SERINE--TRNA LIGASE,
CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ARG A 302
GLU A 304
PHE A 321
GLU A 391
ARG A 435
 SSA  A 501 (-2.4A)
SSA  A 501 (-3.4A)
SSA  A 501 (-3.5A)
MG  A 503 (-3.3A)
SSA  A 501 (-4.0A)
 0.92A 6bniB-4l87A:
12.0		 6bniB-4l87A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lns ASPARAGINE
SYNTHETASE A

(Trypanosoma
brucei) 		PF03590
(AsnA) 		5 HIS A 113
GLU A 270
GLY A 318
ARG A 321
ILE A 332
 None
 0.63A 6bniB-4lnsA:
21.0		 6bniB-4lnsA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		7 ARG A 330
GLU A 332
HIS A 338
GLU A 396
GLY A 423
ARG A 426
ILE A 437
 ANP  A 501 ( 3.2A)
ANP  A 501 (-4.0A)
ANP  A 501 (-3.9A)
ANP  A 501 (-3.2A)
ANP  A 501 (-3.5A)
ANP  A 501 (-2.7A)
None
 0.92A 6bniB-4q6gA:
17.2		 6bniB-4q6gA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		7 ARG A 330
GLU A 332
HIS A 338
PHE A 342
GLY A 423
ARG A 426
ILE A 437
 ANP  A 501 ( 3.2A)
ANP  A 501 (-4.0A)
ANP  A 501 (-3.9A)
ANP  A 501 ( 3.6A)
ANP  A 501 (-3.5A)
ANP  A 501 (-2.7A)
None
 0.80A 6bniB-4q6gA:
17.2		 6bniB-4q6gA:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ARG A 277
GLU A 279
PHE A 292
GLY A 526
ARG A 529
 AMP  A 701 (-2.9A)
AMP  A 701 (-4.3A)
AMP  A 701 (-3.6A)
AMP  A 701 (-3.2A)
AMP  A 701 (-4.1A)
 0.58A 6bniB-4qeiA:
13.7		 6bniB-4qeiA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 251
GLU A 253
HIS A 259
PHE A 263
GLY A 536
ARG A 539
ILE A 550
 LAD  A1584 (-2.3A)
LAD  A1584 (-4.1A)
LAD  A1584 (-4.1A)
LAD  A1584 (-3.5A)
LAD  A1584 ( 3.7A)
LAD  A1584 (-4.1A)
None
 0.34A 6bniB-4up7A:
48.5		 6bniB-4up7A:
6.92
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.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLU A 253
HIS A 259
GLU A 480
ARG A 539
ILE A 550
 LAD  A1584 (-4.1A)
LAD  A1584 (-4.1A)
None
LAD  A1584 (-4.1A)
None
 1.08A 6bniB-4up7A:
48.5		 6bniB-4up7A:
6.92
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 GLU A 191
ALA A 171
GLU A 144
GLY A 146
ILE A 187
 None
 1.12A 6bniB-4v1rA:
undetectable		 6bniB-4v1rA:
12.09
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.
4w9u ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A  15
ALA A  81
GLU A  88
GLY A  83
ARG A  87
 None
 1.23A 6bniB-4w9uA:
undetectable		 6bniB-4w9uA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 PHE M 232
GLU M 483
GLY M 535
ARG M 538
ILE M 549
 None
 1.10A 6bniB-4wj3M:
25.7		 6bniB-4wj3M:
8.43
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.
5e3i HISTIDINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 ARG A 115
GLU A 117
PHE A 127
GLY A 313
ARG A 316
 ATP  A 501 ( 2.5A)
ATP  A 501 (-3.5A)
ATP  A 501 (-3.3A)
ATP  A 501 (-3.0A)
ATP  A 501 (-2.8A)
 0.51A 6bniB-5e3iA:
14.5		 6bniB-5e3iA:
11.75
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.
5hgq LYSINE--TRNA LIGASE

(Loa loa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		8 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLU A 427
GLY A 483
ARG A 486
ILE A 497
 LYS  A 601 (-3.4A)
KRS  A 602 (-3.1A)
KRS  A 602 (-4.4A)
KRS  A 602 (-3.6A)
KRS  A 602 (-4.3A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.2A)
None
 0.72A 6bniB-5hgqA:
44.1		 6bniB-5hgqA:
8.75
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 ASN A 456
HIS A 490
ALA A 483
GLY A 481
ILE A 382
 None
 0.84A 6bniB-5j84A:
undetectable		 6bniB-5j84A:
8.90
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.
5knn ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF01411
(tRNA-synt_2c) 		6 ARG A  77
HIS A  94
PHE A  98
GLU A 213
GLY A 243
ARG A 246
 A5A  A 500 (-2.8A)
A5A  A 500 (-4.5A)
A5A  A 500 (-3.4A)
A5A  A 500 (-3.8A)
A5A  A 500 (-3.4A)
A5A  A 500 (-3.9A)
 0.62A 6bniB-5knnA:
11.8		 6bniB-5knnA:
12.47
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.
5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03147
(FDX-ACB) 		5 ARG A 143
HIS A 151
PHE A 155
GLY A 279
ILE A 293
 None
 0.70A 6bniB-5mgvA:
14.2		 6bniB-5mgvA:
10.67
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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 255
GLU A 257
HIS A 263
PHE A 267
GLY A 471
ARG A 474
ILE A 484
 LYS  A 502 (-3.3A)
None
PGE  A 501 (-4.8A)
PGE  A 501 (-3.6A)
PGE  A 501 ( 4.4A)
PGE  A 501 (-3.6A)
None
 0.79A 6bniB-5vl1A:
43.3		 6bniB-5vl1A:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLU A 257
HIS A 263
GLU A 415
ARG A 474
ILE A 484
 None
PGE  A 501 (-4.8A)
PGE  A 501 (-4.1A)
PGE  A 501 (-3.6A)
None
 0.93A 6bniB-5vl1A:
43.3		 6bniB-5vl1A:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ARG A 219
GLU A 221
PHE A 231
GLY A 537
ILE A 551
 ASP  A 701 (-3.2A)
None
None
None
None
 0.90A 6bniB-5w25A:
28.8		 6bniB-5w25A:
8.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5zh5 LYSINE--TRNA LIGASE

(Plasmodium
falciparum) 		no annotation 6 HIS A 338
PHE A 342
GLU A 500
GLY A 556
ARG A 559
ILE A 570
 9CX  A 602 (-4.1A)
9CX  A 602 (-3.8A)
9CX  A 602 (-4.0A)
9CX  A 602 (-3.7A)
9CX  A 602 (-3.3A)
9CX  A 602 (-4.9A)
 0.40A 6bniB-5zh5A:
45.4		 6bniB-5zh5A:
33.33
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.
6aqh LYSINE--TRNA LIGASE

(Mycolicibacterium
thermoresistibile) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		7 ARG A 258
HIS A 266
PHE A 270
GLU A 419
GLY A 475
ARG A 478
ILE A 488
 LYS  A 601 ( 3.4A)
KRS  A 602 (-4.5A)
KRS  A 602 (-3.5A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.8A)
KRS  A 602 (-3.5A)
None
 0.53A 6bniB-6aqhA:
44.0		 6bniB-6aqhA:
10.82
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.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 5 ARG A 306
GLU A 308
PHE A 325
ALA A 439
GLU A 398
 AMP  A 500 (-3.0A)
AMP  A 500 (-3.4A)
AMP  A 500 (-3.6A)
AMP  A 500 (-3.4A)
AMP  A 500 (-3.2A)
 1.15A 6bniB-6bljA:
12.3		 6bniB-6bljA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 5 ARG A 306
GLU A 308
PHE A 325
GLU A 398
ARG A 442
 AMP  A 500 (-3.0A)
AMP  A 500 (-3.4A)
AMP  A 500 (-3.6A)
AMP  A 500 (-3.2A)
AMP  A 500 (-3.9A)
 0.50A 6bniB-6bljA:
12.3		 6bniB-6bljA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 8 ARG A 323
GLU A 325
HIS A 331
PHE A 335
GLU A 494
GLY A 550
ARG A 553
ILE A 564
 KAA  A 601 (-2.5A)
KAA  A 601 (-3.9A)
KAA  A 601 (-4.2A)
KAA  A 601 (-3.3A)
KAA  A 601 (-3.0A)
KAA  A 601 (-3.2A)
KAA  A 601 (-3.8A)
None
 0.47A 6bniB-6chdA:
52.4		 6bniB-6chdA:
18.82